WKB approximation: Difference between revisions

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{{short description|Solution method for linear differential equations}}
{{short description|Solution method for linear differential equations}}
{{Redirect2|WKB|WKBJ|other uses|WKB (disambiguation)|the television station in Live Oak, Florida|WKBJ-LD}}
{{Redirect2|WKB|WKBJ|other uses|WKB (disambiguation)|the television station in Live Oak, Florida|WKBJ-LD}}
In [[mathematical physics]], the '''WKB approximation''' or '''WKB method''' is a technique for finding approximate solutions to [[Linear differential equation|linear differential equations]] with spatially varying coefficients. It is typically used for a [[Semiclassical physics|semiclassical]] calculation in [[quantum mechanics]] in which the [[wave function]] is recast as an exponential function, semiclassically expanded, and then either the amplitude or the phase is taken to be changing slowly.
In [[mathematical physics]], the '''WKB approximation''' or '''WKB method''' is a technique for finding approximate solutions to [[Linear differential equation|linear differential equations]] with spatially varying coefficients. It is typically used for a [[Semiclassical physics|semiclassical]] calculation in [[quantum mechanics]] in which the [[wave function]] is recast as an [[exponential function]], semiclassically expanded, and then either the amplitude or the phase is taken to be changing slowly.


The name is an initialism for '''Wentzel–Kramers–Brillouin'''. It is also known as the '''LG''' or '''Liouville–Green method'''. Other often-used letter combinations include '''JWKB''' and '''WKBJ''', where the "J" stands for Jeffreys.
The name is an [[Acronym|initialism]] for '''Wentzel–Kramers–Brillouin'''. It is also known as the '''LG''' or '''Liouville–Green method'''. Other often-used letter combinations include '''JWKB''' and '''WKBJ''', where the "J" stands for Jeffreys.


== Brief history ==
== Brief history ==
This method is named after physicists [[Gregor Wentzel]], [[Hendrik Anthony Kramers]], and [[Léon Brillouin]], who all developed it in 1926.<ref name=Wentzel-1926/><ref name=Kramers-1926/><ref name=Brillouin-1926/><ref>{{harvnb|Hall|2013}} Section 15.1 </ref> In 1923,<ref name=Jefferys-1924/> mathematician [[Harold Jeffreys]] had developed a general method of approximating solutions to linear, second-order differential equations, a class that includes the [[Schrödinger equation]]. The Schrödinger equation itself was not developed until two years later, and Wentzel, Kramers, and Brillouin were apparently unaware of this earlier work, so Jeffreys is often neglected credit. Early texts in quantum mechanics contain any number of combinations of their initials, including WBK, BWK, WKBJ, JWKB and BWKJ. An authoritative discussion and critical survey has been given by Robert B. Dingle.<ref>{{cite book |first=Robert Balson |last=Dingle |title=Asymptotic Expansions: Their Derivation and Interpretation |publisher=Academic Press |year=1973 |isbn=0-12-216550-0 }}</ref>
This method is named after physicists [[Gregor Wentzel]], [[Hendrik Anthony Kramers]], and [[Léon Brillouin]], who all developed it in 1926.<ref name=Wentzel-1926/><ref name=Kramers-1926/><ref name=Brillouin-1926/><ref>{{harvnb|Hall|2013}} Section 15.1 </ref> In 1923,<ref name=Jefferys-1924/> mathematician [[Harold Jeffreys]] had developed a general method of approximating solutions to linear, second-order differential equations, a class that includes the [[Schrödinger equation]]. The Schrödinger equation itself was not developed until two years later, and Wentzel, Kramers, and Brillouin were apparently unaware of this earlier work, so Jeffreys is often neglected credit. Early texts in quantum mechanics contain any number of combinations of their initials, including WBK, BWK, WKBJ, JWKB and BWKJ. An authoritative discussion and critical survey has been given by Robert B. Dingle.<ref>{{cite book |first=Robert Balson |last=Dingle |title=Asymptotic Expansions: Their Derivation and Interpretation |publisher=Academic Press |year=1973 |isbn=0-12-216550-0 }}</ref>


Earlier appearances of essentially equivalent methods are: [[Francesco Carlini]] in 1817,<ref name=Carlini-1817/> [[Joseph Liouville]] in 1837,<ref name=Liouville/> [[George Green (mathematician)|George Green]] in 1837,<ref name=Green-1837/> [[Lord Rayleigh]] in 1912<ref name=Rayleigh-1912/> and [[Richard Gans]] in 1915.<ref name=Gans-1915/> Liouville and Green may be said to have founded the method in 1837, and it is also commonly referred to as the Liouville–Green or LG method.<ref>{{cite book
Earlier appearances of essentially equivalent methods are: [[Francesco Carlini]] in 1817,<ref name=Carlini-1817/> [[Joseph Liouville]] in 1837,<ref name=Liouville/> [[George Green (mathematician)|George Green]] in 1837,<ref name=Green-1837/> [[Lord Rayleigh]] in 1912<ref name=Rayleigh-1912/> and [[Richard Gans]] in 1915.<ref name=Gans-1915/> Liouville and Green may be said to have founded the method in 1837, and it is also commonly referred to as the Liouville–Green or LG method.<ref>{{cite book
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{{cite book
{{cite book
  | chapter = A Survey on the Liouville–Green (WKB) approximation for linear difference equations of the second order
  | chapter = A Survey on the Liouville–Green (WKB) approximation for linear difference equations of the second order
  |author1=Renato Spigler |author2=Marco Vianello
  |author1=Renato Spigler |author2=Marco Vianello
   |name-list-style=amp | title = Advances in difference equations: proceedings of the Second International Conference on Difference Equations : Veszprém, Hungary, August 7–11, 1995    
   |name-list-style=amp | title = Advances in difference equations: proceedings of the Second International Conference on Difference Equations : Veszprém, Hungary, August 7–11, 1995
  |editor1=Saber Elaydi |editor2=I. Győri |editor3=G. E. Ladas | publisher = CRC Press
  |editor1=Saber Elaydi |editor2=I. Győri |editor3=G. E. Ladas | publisher = CRC Press
  | year = 1998
  | year = 1998
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WKB theory is a special case of [[multiple scale analysis]].<ref>{{cite book
WKB theory is a special case of [[multiple scale analysis]].<ref>{{cite book
  | title = Acoustics: basic physics, theory and methods
  | title = Acoustics: basic physics, theory and methods
  | first = Paul  
  | first = Paul
  | last = Filippi
  | last = Filippi
  | publisher = Academic Press
  | publisher = Academic Press
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  | url = https://books.google.com/books?id=xHWiOMp63WsC&q=wkb%20multi-scale&pg=PA171
  | url = https://books.google.com/books?id=xHWiOMp63WsC&q=wkb%20multi-scale&pg=PA171
  }}</ref><ref>
  }}</ref><ref>
{{Cite book  
{{Cite book
  | author1=Holmes, M.  
  | author1=Holmes, M.
  | title=Introduction to Perturbation Methods, 2nd Ed  
  | title=Introduction to Perturbation Methods, 2nd Ed
  | year=2013  
  | year=2013
  | publisher=Springer  
  | publisher=Springer
  | isbn=978-1-4614-5476-2  
  | isbn=978-1-4614-5476-2
  }}</ref><ref name=":0">{{cite book
  }}</ref><ref name=":0">{{cite book
  | first1=Carl M.
  | first1=Carl M.
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==An example==
==An example==
This example comes from the text of [[Carl M. Bender]] and [[Steven Orszag]].<ref name=":0" /> Consider the second-order homogeneous linear differential equation
This example comes from the text of [[Carl M. Bender]] and [[Steven Orszag]].<ref name=":0" /> Consider the second-order homogeneous linear differential equation
<math display="block"> \epsilon^2 \frac{d^2 y}{dx^2} = Q(x) y, </math>
<math display="block"> \varepsilon^2 \frac{d^2 y}{dx^2} = Q(x) y, </math>
where <math>Q(x) \neq 0</math>. Substituting
where <math>Q(x) \neq 0</math>. Substituting
<math display="block">y(x) = \exp \left[\frac{1}{\delta} \sum_{n=0}^\infty \delta^n S_{n}(x)\right]</math>
<math display="block">y(x) = \exp \left[\frac{1}{\delta} \sum_{n=0}^\infty \delta^n S_n(x)\right]</math>
results in the equation
results in the equation
<math display="block">\epsilon^2\left[\frac{1}{\delta^2} \left(\sum_{n=0}^\infty \delta^nS_{n}^{\prime}\right)^2 + \frac{1}{\delta} \sum_{n=0}^{\infty}\delta^n S_{n}^{\prime\prime}\right] = Q(x).</math>
<math display="block">\varepsilon^2\left[\frac{1}{\delta^2} \left(\sum_{n=0}^\infty \delta^n S_n^{\prime}\right)^2 + \frac{1}{\delta} \sum_{n=0}^{\infty}\delta^n S_n^{\prime\prime}\right] = Q(x).</math>


To [[leading-order|leading order]] in ''ϵ'' (assuming, for the moment, the series will be asymptotically consistent), the above can be approximated as
To [[leading-order|leading order]] in ''ε'' (assuming, for the moment, the series will be asymptotically consistent), the above can be approximated as
<math display="block">\frac{\epsilon^2}{\delta^2} {S_{0}^{\prime}}^2 + \frac{2\epsilon^2}{\delta} S_{0}^{\prime} S_{1}^{\prime} + \frac{\epsilon^2}{\delta} S_{0}^{\prime\prime} = Q(x).</math>
<math display="block">\frac{\varepsilon^2}{\delta^2} {S_0^{\prime}}^2 + \frac{2\varepsilon^2}{\delta} S_0^{\prime} S_1^{\prime} + \frac{\varepsilon^2}{\delta} S_0^{\prime\prime} = Q(x).</math>


In the limit {{math|''δ'' → 0}}, the [[Method of dominant balance|dominant balance]] is given by
In the limit {{math|''δ'' → 0}}, the [[Method of dominant balance|dominant balance]] is given by
<math display="block">\frac{\epsilon^2}{\delta^2} {S_{0}^{\prime}}^2 \sim Q(x).</math>
<math display="block">\frac{\varepsilon^2}{\delta^2} {S_0^{\prime}}^2 \sim Q(x).</math>


So {{mvar|δ}} is proportional to ''ϵ''. Setting them equal and comparing powers yields
So {{mvar|δ}} is proportional to ''ϵ''. Setting them equal and comparing powers yields
<math display="block">\epsilon^0: \quad {S_{0}^{\prime}}^2 = Q(x),</math>
<math display="block">\varepsilon^0: \quad {S_0^{\prime}}^2 = Q(x),</math>
which can be recognized as the [[eikonal equation]], with solution
which can be recognized as the [[eikonal equation]], with solution
<math display="block">S_{0}(x) = \pm \int_{x_0}^x \sqrt{Q(x')}\,dx'.</math>
<math display="block">S_0(x) = \pm \int_{x_0}^x \sqrt{Q(x')}\,dx'.</math>


Considering first-order powers of {{mvar|ϵ}} fixes
Considering first-order powers of {{mvar|ϵ}} fixes
<math display="block">\epsilon^1: \quad 2 S_{0}^{\prime} S_{1}^{\prime} + S_{0}^{\prime\prime} = 0.</math>
<math display="block">\varepsilon^1: \quad 2 S_0^{\prime} S_1^{\prime} + S_0^{\prime\prime} = 0.</math>
This has the solution
This has the solution
<math display="block">S_{1}(x) = -\frac{1}{4} \ln Q(x) + k_1,</math>
<math display="block">S_1(x) = -\frac{1}{4} \ln Q(x) + k_1,</math>
where {{math|''k''<sub>1</sub>}} is an arbitrary constant.
where {{math|''k''<sub>1</sub>}} is an arbitrary constant.


We now have a pair of approximations to the system (a pair, because   {{math|''S''<sub>0</sub>}} can take two signs); the first-order WKB-approximation will be a linear combination of the two:
We now have a pair of approximations to the system (a pair, because {{math|''S''<sub>0</sub>}} can take two signs); the first-order WKB-approximation will be a [[linear combination]] of the two:
<math display="block">y(x) \approx c_1 Q^{-\frac{1}{4}}(x) \exp\left[\frac{1}{\epsilon} \int_{x_0}^x \sqrt{Q(t)} \, dt\right] + c_2 Q^{-\frac{1}{4}}(x) \exp\left[-\frac{1}{\epsilon} \int_{x_0}^x\sqrt{Q(t)} \, dt\right].</math>
<math display="block">y(x) \approx c_1 Q^{-\frac{1}{4}}(x) \exp\left(\frac{1}{\varepsilon} \int_{x_0}^x \sqrt{Q(t)} \, dt\right) + c_2 Q^{-\frac{1}{4}}(x) \exp\left(-\frac{1}{\varepsilon} \int_{x_0}^x \sqrt{Q(t)} \, dt\right).</math>


Higher-order terms can be obtained by looking at equations for higher powers of {{mvar|δ}}. Explicitly,
Higher-order terms can be obtained by looking at equations for higher powers of {{mvar|δ}}. Explicitly,
<math display="block"> 2S_{0}^{\prime} S_{n}^{\prime} + S^{\prime\prime}_{n-1} + \sum_{j=1}^{n-1}S^{\prime}_{j} S^{\prime}_{n-j} = 0</math>
<math display="block"> 2S_0^{\prime} S_n^{\prime} + S^{\prime\prime}_{n-1} + \sum_{j=1}^{n-1}S^{\prime}_j S^{\prime}_{n-j} = 0</math>
for {{math|''n'' ≥ 2}}.
for {{math|''n'' ≥ 2}}.


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For the equation
For the equation
<math display="block"> \epsilon^2 \frac{d^2 y}{dx^2} = Q(x) y, </math>
<math display="block"> \varepsilon^2 \frac{d^2 y}{dx^2} = Q(x) y, </math>
with {{math|''Q''(''x'') <0}} an analytic function, the value <math>n_\max</math> and the magnitude of the last term can be estimated as follows:<ref>{{cite journal| last=Winitzki |first=S. |year=2005 |arxiv=gr-qc/0510001 |title=Cosmological particle production and the precision of the WKB approximation |journal=Phys. Rev. D |volume=72 |issue=10 |pages=104011, 14&nbsp;pp |doi=10.1103/PhysRevD.72.104011 |bibcode = 2005PhRvD..72j4011W |s2cid=119152049 }}</ref>
with {{math|''Q''(''x'') <0}} an [[analytic function]], the value <math>n_\max</math> and the magnitude of the last term can be estimated as follows:<ref>{{cite journal| last=Winitzki |first=S. |year=2005 |arxiv=gr-qc/0510001 |title=Cosmological particle production and the precision of the WKB approximation |journal=Phys. Rev. D |volume=72 |issue=10 |pages=104011, 14&nbsp;pp |doi=10.1103/PhysRevD.72.104011 |bibcode = 2005PhRvD..72j4011W |s2cid=119152049 }}</ref>
<math display="block">n_\max \approx 2\epsilon^{-1} \left| \int_{x_0}^{x_{\ast}} \sqrt{-Q(z)}\,dz \right| , </math>
<math display="block">n_\max \approx \frac{2}{\varepsilon} \left| \int_{x_0}^{x_\ast} \sqrt{-Q(z)}\,dz \right| , </math>
<math display="block">\delta^{n_\max}S_{n_\max}(x_0) \approx \sqrt{\frac{2\pi}{n_\max}} \exp[-n_\max], </math>
<math display="block">\delta^{n_\max}S_{n_\max}(x_0) \approx \sqrt{\frac{2\pi}{n_\max}} e^{-n_\max}, </math>
where <math>x_0</math> is the point at which <math>y(x_0)</math> needs to be evaluated and <math>x_{\ast}</math> is the (complex) turning point where <math>Q(x_{\ast}) = 0</math>, closest to <math>x = x_0</math>.
where <math>x_0</math> is the point at which <math>y(x_0)</math> needs to be evaluated and <math>x_{\ast}</math> is the (complex) turning point where <math>Q(x_{\ast}) = 0</math>, closest to <math>x = x_0</math>.


The number {{math|''n''<sub>max</sub>}} can be interpreted as the number of oscillations between <math>x_0</math> and the closest turning point.
The number {{math|''n''<sub>max</sub>}} can be interpreted as the number of oscillations between <math>x_0</math> and the closest turning point.


If <math>\epsilon^{-1}Q(x)</math> is a slowly changing function,
If <math>\varepsilon^{-1}Q(x)</math> is a slowly changing function,
<math display="block">\epsilon\left| \frac{dQ}{dx} \right| \ll Q^2 , ^{\text{[might be }Q^{3/2}\text{?]}}</math>
<math display="block">\varepsilon\left| \frac{dQ}{dx} \right| \ll Q^2 , ^{\text{[might be }Q^{3/2}\text{?]}}</math>
the number {{math|''n''<sub>max</sub>}} will be large, and the minimum error of the asymptotic series will be exponentially small.
the number {{math|''n''<sub>max</sub>}} will be large, and the minimum error of the asymptotic series will be exponentially small.


== Application in non-relativistic quantum mechanics ==
== Application in non-relativistic quantum mechanics ==
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===Approximation away from the turning points===
===Approximation away from the turning points===
The wavefunction can be rewritten as the exponential of another function {{math|S}} (closely related to the [[Action (physics)|action]]), which could be complex,
The wavefunction can be rewritten as the exponential of another function {{math|S}} (closely related to the [[Action (physics)|action]]), which could be complex,
<math display="block">\Psi(\mathbf x) = e^{i S(\mathbf{x}) \over \hbar},   </math>
<math display="block">\Psi(\mathbf x) = e^{i S(\mathbf{x}) / \hbar}, </math>
so that its substitution in Schrödinger's equation gives:
so that its substitution in Schrödinger's equation gives:


<math display="block">i\hbar \nabla^2 S(\mathbf x) - (\nabla S(\mathbf x))^2 = 2m \left( V(\mathbf x) - E \right),</math>
<math display="block">i\hbar \nabla^2 S(\mathbf x) - \left(\nabla S(\mathbf x)\right)^2 = 2m \left( V(\mathbf x) - E \right),</math>


Next, the semiclassical approximation is used. This means that each function is expanded as a [[power series]] in {{mvar|ħ}}.
Next, the semi-classical approximation is used. This means that each function is expanded as a [[power series]] in {{mvar|ħ}}.
<math display="block">S = S_0 + \hbar S_1 + \hbar^2 S_2 + \cdots </math>
<math display="block">S = S_0 + \hbar S_1 + \hbar^2 S_2 + \cdots </math>
Substituting in the equation, and only retaining terms up to first order in {{math|ℏ}}, we get:
Substituting in the equation, and only retaining terms up to first order in {{math|ℏ}}, we get:
<math display="block">(\nabla S_0+\hbar \nabla S_1)^2-i\hbar(\nabla^2 S_0) = 2m(E-V(\mathbf x)) </math>
<math display="block">\left(\nabla S_0+\hbar \nabla S_1\right)^2 - i\hbar\left(\nabla^2 S_0\right) = 2m\left(E-V(\mathbf x)\right) </math>
which gives the following two relations:
which gives the following two relations:
<math display="block">\begin{align}
<math display="block">\begin{align}
(\nabla S_0)^2= 2m (E-V(\mathbf x)) = (p(\mathbf x))^2\\  
\left(\nabla S_0\right)^2 = 2m \left(E - V(\mathbf x)\right) &= \left(p(\mathbf x)\right)^2 \\[1ex]
2\nabla S_0 \cdot \nabla S_1 - i \nabla^2 S_0 = 0  
2\nabla S_0 \cdot \nabla S_1 - i \nabla^2 S_0 &= 0
\end{align}</math>
\end{align}</math>
which can be solved for 1D systems, first equation resulting in:<math display="block">S_0(x) = \pm \int \sqrt{ 2m \left( E - V(x)\right) } \,dx=\pm\int p(x) \,dx     </math>and the second equation computed for the possible values of the above, is generally expressed as:<math display="block">\Psi(x) \approx C_+ \frac{ e^{+ \frac i \hbar \int p(x)\,dx} }{\sqrt{|p(x)| }} + C_- \frac{ e^{- \frac i \hbar \int p(x)\,dx} }{\sqrt{|p(x)| }} </math>
which can be solved for 1D systems, first equation resulting in:<math display="block">S_0(x) = \pm \int \sqrt{ 2m \left( E - V(x)\right) } \,dx=\pm\int p(x) \,dx </math>and the second equation computed for the possible values of the above, is generally expressed as:<math display="block">\Psi(x) \approx C_+ \frac{ e^{+ \frac i \hbar \int p(x)\,dx} }{\sqrt{|p(x)| }} + C_- \frac{ e^{- \frac i \hbar \int p(x)\,dx} }{\sqrt{|p(x)| }} </math>
 


Thus, the resulting wavefunction in first order WKB approximation is presented as,<ref>{{harvnb|Hall|2013}} Section 15.4</ref><ref name=":1">{{Cite book |last=Zettili |first=Nouredine |title=Quantum mechanics: concepts and applications |date=2009 |publisher=Wiley |isbn=978-0-470-02679-3 |edition=2nd |location=Chichester}}</ref>
Thus, the resulting wavefunction in first order WKB approximation is presented as,<ref>{{harvnb|Hall|2013}} Section 15.4</ref><ref name=":1">{{Cite book |last=Zettili |first=Nouredine |title=Quantum mechanics: concepts and applications |date=2009 |publisher=Wiley |isbn=978-0-470-02679-3 |edition=2nd |location=Chichester}}</ref>
{{Equation box 1
{{Equation box 1
|indent =:
|indent = :
|equation = <math>\Psi(x)   \approx \frac{ C_{+} e^{+   \frac{i}{\hbar} \int \sqrt{2m \left( E - V(x) \right)}\,dx} + C_{-} e^{- \frac{i}{\hbar} \int \sqrt{2 m \left( E - V(x) \right)}\,dx} }{ \sqrt[4]{2m \mid E - V(x) \mid} } </math>
|equation = <math>\Psi(x) \approx \frac{ C_{+} e^{+ \frac{i}{\hbar} \int \sqrt{2m \left( E - V(x) \right)}\,dx} + C_{-} e^{- \frac{i}{\hbar} \int \sqrt{2 m \left( E - V(x) \right)}\,dx} }{ \sqrt[4]{2m \left| E - V(x) \right|} } </math>
|cellpadding= 6
|cellpadding= 6
|border
|border
|border colour = #0073CF
|border colour = #0073CF
|bgcolor=#F9FFF7}}
|bgcolor=#F9FFF7}}


In the classically allowed region, namely the region where <math>V(x) < E</math> the integrand in the exponent is imaginary and the approximate wave function is oscillatory. In the classically forbidden region <math>V(x) > E</math>, the solutions are growing or decaying. It is evident in the denominator that both of these approximate solutions become singular near the classical '''turning points''', where {{math|1=''E'' = ''V''(''x'')}}, and cannot be valid. (The turning points are the points where the classical particle changes direction.)
In the classically allowed region, namely the region where <math>V(x) < E</math> the integrand in the exponent is imaginary and the approximate wave function is oscillatory. In the classically forbidden region <math>V(x) > E</math>, the solutions are growing or decaying. It is evident in the denominator that both of these approximate solutions become singular near the classical '''turning points''', where {{math|1=''E'' = ''V''(''x'')}}, and cannot be valid. (The turning points are the points where the classical particle changes direction.)


 
Hence, when <math>E > V(x)</math>, the wavefunction can be chosen to be expressed as:<math display="block">\Psi(x') \approx \frac{1}{\sqrt{|p(x)|}} \left[ C \cos\left(\frac 1 \hbar \int \left|p(x)\right| dx + \alpha\right) + D \sin\left(- \frac 1 \hbar \int \left|p(x)\right| dx +\alpha\right)\right] </math>and for <math>V(x) > E</math>,<math display="block">\Psi(x') \approx \frac{ C_{+} e^{- \frac{1}{\hbar} \int |p(x)|\,dx}}{\sqrt{|p(x)|}} + \frac{ C_{-} e^{+ \frac{1}{\hbar} \int |p(x)|\,dx} }{ \sqrt{|p(x)|} } . </math>The integration in this solution is computed between the classical turning point and the arbitrary position x'.
Hence, when <math>E > V(x)</math>, the wavefunction can be chosen to be expressed as:<math display="block">\Psi(x') \approx C \frac{\cos{(\frac 1 \hbar \int |p(x)|\,dx} + \alpha)  }{\sqrt{|p(x)| }} + D \frac{ \sin{(- \frac 1 \hbar \int |p(x)|\,dx} +\alpha)}{\sqrt{|p(x)| }}  </math>and for <math>V(x) > E</math>,<math display="block">\Psi(x')   \approx \frac{ C_{+} e^{+    \frac{i}{\hbar} \int |p(x)|\,dx}}{\sqrt{|p(x)|}} + \frac{ C_{-} e^{- \frac{i}{\hbar} \int |p(x)|\,dx} }{ \sqrt{|p(x)|} } . </math>The integration in this solution is computed between the classical turning point and the arbitrary position x'.


=== Validity of WKB solutions ===
=== Validity of WKB solutions ===
From the condition:<math display="block">(S_0'(x))^2-(p(x))^2 + \hbar (2 S_0'(x)S_1'(x)-iS_0''(x)) = 0 </math>
From the condition:
 
<math display="block">\left(S_0'(x)\right)^2 - \left(p(x)\right)^2 + \hbar \left(2 S_0'(x)S_1'(x)-iS_0''(x)\right) = 0 </math>
It follows that: <math display="inline">\hbar\mid 2 S_0'(x)S_1'(x)\mid+\hbar \mid i S_0''(x)\mid \ll \mid(S_0'(x))^2\mid +\mid (p(x))^2\mid </math>


It follows that: <math display="inline">\hbar\left| 2 S_0'(x)S_1'(x)\right| + \hbar\left| i S_0''(x)\right| \ll \left|(S_0'(x))^2\right| + \left| (p(x))^2\right| </math>


For which the following two inequalities are equivalent since the terms in either side are equivalent, as used in the WKB approximation:
For which the following two inequalities are equivalent since the terms in either side are equivalent, as used in the WKB approximation:


<math display="block">\begin{align}
<math display="block">\begin{align}
\hbar \mid S_0''(x)\mid \ll \mid(S_0'(x))^2\mid\\
\hbar \left| S_0''(x)\right| &\ll \left|(S_0'(x))^2\right| \\
2\hbar \mid S_0'S_1' \mid \ll \mid(p'(x))^2\mid
2\hbar \left| S_0'S_1' \right| &\ll \left|(p'(x))^2\right|
\end{align}   </math>
\end{align}</math>


The first inequality can be used to show the following:
The first inequality can be used to show the following:


<math display="block">\begin{align}
<math display="block">\begin{align}
\hbar \mid S_0''(x)\mid \ll \mid(p(x))\mid^2\\
\hbar \left| S_0''(x)\right| &\ll \left|p(x)\right|^2 \\
\frac{1}{2}\frac{\hbar}{|p(x)|}\left|\frac{dp^2}{dx}\right| \ll |p(x)|^2\\
\frac{1}{2} \frac{\hbar}{|p(x)|} \left|\frac{dp^2}{dx}\right| &\ll \left|p(x)\right|^2 \\
\lambda \left|\frac{dV}{dx}\right| \ll \frac{|p|^2}{m}\\
\lambda \left|\frac{dV}{dx}\right| &\ll \frac{\left|p\right|^2}{m}\\
\end{align}   </math>
\end{align} </math>
 
where <math display="inline">|S_0'(x)|= |p(x)|    </math> is used and <math display="inline">\lambda(x) </math> is the local [[De Broglie waves|de Broglie wavelength]] of the wavefunction. The inequality implies that the variation of potential is assumed to be slowly varying.<ref name=":1" /><ref name=":2">{{Cite web |last=Zwiebach |first=Barton |title=Semiclassical approximation |url=https://ocw.mit.edu/courses/8-06-quantum-physics-iii-spring-2018/bf207c35150e1f5d93ef05d4664f406d_MIT8_06S18ch3.pdf}}</ref> This condition can also be restated as the fractional change of <math display="inline">E-V(x) </math> or that of the momentum <math display="inline">p(x) </math>, over the wavelength <math display="inline">\lambda </math>, being much smaller than <math display="inline">1 </math>.<ref>{{Cite book |last1=Bransden |first1=B. H. |url=https://books.google.com/books?id=ST_DwIGZeTQC |title=Physics of Atoms and Molecules |last2=Joachain |first2=Charles Jean |date=2003 |publisher=Prentice Hall |isbn=978-0-582-35692-4 |pages=140–141 |language=en}}</ref>
 


where <math display="inline">|S_0'(x)|= |p(x)| </math> is used and <math display="inline">\lambda(x) </math> is the local [[De Broglie waves|de Broglie wavelength]] of the wavefunction. The inequality implies that the variation of potential is assumed to be slowly varying.<ref name=":1" /><ref name=":2">{{Cite web |last=Zwiebach |first=Barton |title=Semiclassical approximation |url=https://ocw.mit.edu/courses/8-06-quantum-physics-iii-spring-2018/bf207c35150e1f5d93ef05d4664f406d_MIT8_06S18ch3.pdf}}</ref> This condition can also be restated as the fractional change of <math display="inline">E-V(x) </math> or that of the momentum <math display="inline">p(x) </math>, over the wavelength <math display="inline">\lambda </math>, being much smaller than <math display="inline">1 </math>.<ref>{{Cite book |last1=Bransden |first1=B. H. |url=https://books.google.com/books?id=ST_DwIGZeTQC |title=Physics of Atoms and Molecules |last2=Joachain |first2=Charles Jean |date=2003 |publisher=Prentice Hall |isbn=978-0-582-35692-4 |pages=140–141 |language=en}}</ref>


Similarly it can be shown that <math display="inline">\lambda(x) </math> also has restrictions based on underlying assumptions for the WKB approximation that:<math display="block">\left|\frac{d\lambda}{dx}\right| \ll 1 </math>which implies that the [[De Broglie waves|de Broglie wavelength]] of the particle is slowly varying.<ref name=":2" />
Similarly it can be shown that <math display="inline">\lambda(x) </math> also has restrictions based on underlying assumptions for the WKB approximation that:<math display="block">\left|\frac{d\lambda}{dx}\right| \ll 1 </math>which implies that the [[De Broglie waves|de Broglie wavelength]] of the particle is slowly varying.<ref name=":2" />


=== Behavior near the turning points ===
=== Behavior near the turning points ===
We now consider the behavior of the wave function near the turning points. For this, we need a different method. Near the first turning points, {{math|''x''<sub>1</sub>}}, the term <math>\frac{2m}{\hbar^2}\left(V(x)-E\right)</math> can be expanded in a power series,
We now consider the behavior of the wave function near the turning points. For this, we need a different method. Near the first turning points, {{math|''x''<sub>1</sub>}}, the term <math display="inline">\frac{2m}{\hbar^2} \left(V(x) - E\right)</math> can be expanded in a power series,
<math display="block">\frac{2m}{\hbar^2}\left(V(x)-E\right) = U_1 \cdot (x - x_1) + U_2 \cdot (x - x_1)^2 + \cdots\;.</math>
<math display="block">\frac{2m}{\hbar^2}\left(V(x)-E\right) = U_1 \cdot (x - x_1) + U_2 \cdot (x - x_1)^2 + \cdots\;.</math>


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<math display="block">\frac{d^2}{dx^2} \Psi(x) = U_1 \cdot (x - x_1) \cdot \Psi(x).</math>
<math display="block">\frac{d^2}{dx^2} \Psi(x) = U_1 \cdot (x - x_1) \cdot \Psi(x).</math>
This differential equation is known as the [[Airy equation]], and the solution may be written in terms of [[Airy function]]s,<ref>{{harvnb|Hall|2013}} Section 15.5</ref>
This differential equation is known as the [[Airy equation]], and the solution may be written in terms of [[Airy function]]s,<ref>{{harvnb|Hall|2013}} Section 15.5</ref>
<math display="block">\Psi(x) = C_A \operatorname{Ai}\left( \sqrt[3]{U_1} \cdot (x - x_1) \right) + C_B \operatorname{Bi}\left( \sqrt[3]{U_1} \cdot (x - x_1) \right)= C_A \operatorname{Ai}\left( u \right) + C_B \operatorname{Bi}\left( u \right).</math>
<math display="block">\begin{align}
\Psi(x) &= C_A \operatorname{Ai}\left( \sqrt[3]{U_1} \cdot (x - x_1) \right) + C_B \operatorname{Bi}\left( \sqrt[3]{U_1} \cdot (x - x_1) \right) \\
&= C_A \operatorname{Ai}\left( u \right) + C_B \operatorname{Bi}\left( u \right).
\end{align}</math>


Although for any fixed value of <math>\hbar</math>, the wave function is bounded near the turning points, the wave function will be peaked there, as can be seen in the images above. As <math>\hbar</math> gets smaller, the height of the wave function at the turning points grows. It also follows from this approximation that:
Although for any fixed value of <math>\hbar</math>, the wave function is bounded near the turning points, the wave function will be peaked there, as can be seen in the images above. As <math>\hbar</math> gets smaller, the height of the wave function at the turning points grows. It also follows from this approximation that:


<math display="block">\frac{1}{\hbar}\int p(x) dx = \sqrt{U_1} \int \sqrt{x-a}\, dx = \frac 2 3 (\sqrt[3]{U_1} (x-a))^{\frac 3 2} = \frac 2 3 u^{\frac 3 2}</math>
<math display="block">\begin{align}
\frac{1}{\hbar}\int p(x) \, dx &= \sqrt{U_1} \int \sqrt{x-a}\, dx \\
&= \frac 2 3 \left[\sqrt[3]{U_1} \left(x-a\right)\right]^{\frac 3 2}
= \frac 2 3 u^{\frac 3 2}
\end{align}</math>


===Connection conditions===
===Connection conditions===
It now remains to construct a global (approximate) solution to the Schrödinger equation. For the wave function to be square-integrable, we must take only the exponentially decaying solution in the two classically forbidden regions. These must then "connect" properly through the turning points to the classically allowed region. For most values of {{math|''E''}}, this matching procedure will not work: The function obtained by connecting the solution near <math>+\infty</math> to the classically allowed region will not agree with the function obtained by connecting the solution near <math>-\infty</math> to the classically allowed region. The requirement that the two functions agree imposes a condition on the energy {{math|''E''}}, which will give an approximation to the exact quantum energy levels.[[File:WKB approximation example.svg|thumb|WKB approximation to the indicated potential. Vertical lines show the energy level and its intersection with potential shows the turning points with dotted lines. The problem has two classical turning points with <math>U_1 < 0</math> at <math>x=x_1  
It now remains to construct a global (approximate) solution to the Schrödinger equation. For the wave function to be square-integrable, we must take only the exponentially decaying solution in the two classically forbidden regions. These must then "connect" properly through the turning points to the classically allowed region. For most values of {{math|''E''}}, this matching procedure will not work: The function obtained by connecting the solution near <math>+\infty</math> to the classically allowed region will not agree with the function obtained by connecting the solution near <math>-\infty</math> to the classically allowed region. The requirement that the two functions agree imposes a condition on the energy {{math|''E''}}, which will give an approximation to the exact quantum energy levels.[[File:WKB approximation example.svg|thumb|WKB approximation to the indicated potential. Vertical lines show the energy level and its intersection with potential shows the turning points with dotted lines. The problem has two classical turning points with <math>U_1 < 0</math> at <math>x=x_1
</math> and <math>U_1 > 0</math> at <math>x=x_2
</math> and <math>U_1 > 0</math> at <math>x=x_2
</math>.]]The wavefunction's coefficients can be calculated for a simple problem shown in the figure. Let the first turning point, where the potential is decreasing over x, occur at <math>x=x_1  
</math>.]]The wavefunction's coefficients can be calculated for a simple problem shown in the figure. Let the first turning point, where the potential is decreasing over x, occur at <math>x=x_1
</math> and the second turning point, where potential is increasing over x, occur at <math>x=x_2
</math> and the second turning point, where potential is increasing over x, occur at <math>x=x_2
</math>. Given that we expect wavefunctions to be of the following form, we can calculate their coefficients by connecting the different regions using Airy and Bairy functions.  
</math>. Given that we expect wavefunctions to be of the following form, we can calculate their coefficients by connecting the different regions using Airy and Bairy functions.
 
<math display="block">\begin{align}
\Psi_{V>E} (x) \approx A \frac{ e^{\frac 2 3 u^\frac{3}{2}}}{\sqrt[4]{u}} + B \frac{ e^{-\frac 2 3 u^\frac{3}{2}} }{\sqrt[4]{u}} \\ 
\Psi_{E>V}(x) \approx C \frac{\cos{(\frac 2 3 u^\frac{3}{2} - \alpha )  } }{\sqrt[4]{u} } + D \frac{ \sin{(\frac 2 3 u^\frac{3}{2} - \alpha)}}{\sqrt[4]{u} }\\ 


<math display="block">\begin{align}
\Psi_{V>E}(x) &\approx u^{-\frac{1}{4}} \left[ A \exp\left(\tfrac 2 3 u^\frac{3}{2}\right) + B \exp\left(-\tfrac 2 3 u^\frac{3}{2}\right) \right] \\
\Psi_{E>V}(x) &\approx u^{-\frac{1}{4}} \left[C \cos\left(\tfrac 2 3 u^\frac{3}{2} - \alpha \right) + D \sin\left(\tfrac 2 3 u^\frac{3}{2} - \alpha\right) \right]\\
\end{align} </math>
\end{align} </math>


==== First classical turning point ====
==== First classical turning point ====
For <math>U_1 < 0</math> ie. decreasing potential condition or <math>x=x_1  
For <math>U_1 < 0</math> ie. decreasing potential condition or <math>x=x_1 </math> in the given example shown by the figure, we require the exponential function to decay for negative values of x so that wavefunction for it to go to zero. Considering Bairy functions to be the required connection formula, we get:<ref name=":3">{{Cite journal |last1=Ramkarthik |first1=M. S. |last2=Pereira |first2=Elizabeth Louis |date=2021-06-01 |title=Airy Functions Demystified — II |url=https://doi.org/10.1007/s12045-021-1179-z |journal=Resonance |language=en |volume=26 |issue=6 |pages=757–789 |doi=10.1007/s12045-021-1179-z |issn=0973-712X|url-access=subscription }}</ref>
</math> in the given example shown by the figure, we require the exponential function to decay for negative values of x so that wavefunction for it to go to zero. Considering Bairy functions to be the required connection formula, we get:<ref name=":3">{{Cite journal |last1=Ramkarthik |first1=M. S. |last2=Pereira |first2=Elizabeth Louis |date=2021-06-01 |title=Airy Functions Demystified — II |url=https://doi.org/10.1007/s12045-021-1179-z |journal=Resonance |language=en |volume=26 |issue=6 |pages=757–789 |doi=10.1007/s12045-021-1179-z |issn=0973-712X|url-access=subscription }}</ref>


<math display="block">\begin{align}
<math display="block">\begin{align}
\operatorname{Bi}(u) \rightarrow -\frac{1}{\sqrt \pi}\frac{1}{\sqrt[4]{u}} \sin{\left(\frac 2 3 |u|^{\frac 3 2} - \frac \pi 4\right)}    \quad \textrm{where,} \quad u \rightarrow -\infty\\
\operatorname{Bi}(u) &\to -\frac{1}{\sqrt \pi}\frac{1}{\sqrt[4]{u}} \sin\left(\frac 2 3 |u|^{\frac 3 2} - \frac \pi 4\right) & \text{where} \quad u \to -\infty\\[1ex]
\operatorname{Bi}(u) \rightarrow \frac{1}{\sqrt \pi}\frac{1}{\sqrt[4]{u}} e^{\frac 2 3 u^{\frac 3 2}\quad \textrm{where,} \quad u \rightarrow +\infty \\
\operatorname{Bi}(u) &\to \frac{1}{\sqrt \pi}\frac{1}{\sqrt[4]{u}} \exp\left(\frac 2 3 u^{\frac 3 2}\right) & \textrm{where} \quad u \to +\infty
\end{align} </math>
\end{align}</math>


We cannot use Airy function since it gives growing exponential behaviour for negative x. When compared to WKB solutions and matching their behaviours at <math>\pm \infty </math>, we conclude:
We cannot use Airy function since it gives growing exponential behaviour for negative x. When compared to WKB solutions and matching their behaviours at <math>\pm \infty </math>, we conclude:


<math>A=-D=N </math>,
<math>A=-D=N </math>,
<math>B=C=0 </math> and <math>\alpha = \frac \pi 4 </math>.
<math>B=C=0 </math> and <math>\alpha = \frac \pi 4 </math>.


Thus, letting some normalization constant be <math>N </math>, the wavefunction is given for increasing potential (with x) as:<ref name=":1" />
Thus, letting some [[Normalizing constant|normalization constant]] be <math>N </math>, the wavefunction is given for increasing potential (with x) as:<ref name=":1" />


 
<math display="block">\Psi_{\text{WKB}}(x) = \frac{N}{\sqrt{|p(x)|}} \cdot \begin{cases}
<math>\Psi_{\text{WKB}}(x) = \begin{cases}
-\exp\left(- Q_1(x)\right) & \text{if } x < x_1\\
-\frac{N}{\sqrt{|p(x)|}}\exp{(-\frac 1 \hbar \int_{x}^{x_1} |p(x)| dx )& \text{if } x < x_1\\  
\sin\left(Q_1(x) - \frac \pi 4\right) & \text{if } x_2 > x > x_1 \\
  \frac{N}{\sqrt{|p(x)|}} \sin{(\frac 1 \hbar \int_{x}^{x_1} |p(x)| dx - \frac \pi 4)} & \text{if } x_2 > x > x_1 \\
\end{cases} </math>where <math display="inline">Q_1(x) = \frac{1}{\hbar} \int_x^{x_1} |p(x')| \, dx'</math>.
\end{cases}   </math>


==== Second classical turning point ====
==== Second classical turning point ====
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<math display="block">\begin{align}
<math display="block">\begin{align}
\operatorname{Ai} (u)\rightarrow \frac{1}{2\sqrt \pi}\frac{1}{\sqrt[4]{u}} e^{-\frac 2 3 u^{\frac 3 2}} \quad \textrm{where,} \quad u \rightarrow + \infty \\
\operatorname{Ai} (u)&\rightarrow \frac{1}{2\sqrt \pi}\frac{1}{\sqrt[4]{u}} e^{-\frac 2 3 u^{\frac 3 2}} &\textrm{where,} \quad u \rightarrow + \infty \\
\operatorname{Ai}(u) \rightarrow \frac{1}{\sqrt \pi}\frac{1}{\sqrt[4]{u}} \cos{\left(\frac 2 3 |u|^{\frac 3 2} - \frac \pi 4\right)}     \quad \textrm{where,} \quad u \rightarrow -\infty\\
\operatorname{Ai}(u) &\rightarrow \frac{1}{\sqrt \pi}\frac{1}{\sqrt[4]{u}} \cos{\left(\frac 2 3 |u|^{\frac 3 2} - \frac \pi 4\right)} &\textrm{where,} \quad u \rightarrow -\infty\\
\end{align} </math>  
\end{align} </math>


We cannot use Bairy function since it gives growing exponential behaviour for positive x. When compared to WKB solutions and matching their behaviours at <math>\pm \infty </math>, we conclude:
We cannot use Bairy function since it gives growing exponential behaviour for positive x. When compared to WKB solutions and matching their behaviours at <math>\pm \infty </math>, we conclude:


<math>2B=C=N'   </math>,
<math>2B=C=N' </math>,
<math>D=A=0 </math> and <math>\alpha = \frac \pi 4 </math>.
<math>D=A=0 </math> and <math>\alpha = \frac \pi 4 </math>.


Thus, letting some normalization constant be <math>N' </math>, the wavefunction is given for increasing potential (with x) as:<ref name=":1" />
Thus, letting some normalization constant be <math>N' </math>, the wavefunction is given for increasing potential (with x) as:<ref name=":1" />


 
<math display="block">\Psi_{\text{WKB}}(x) = \begin{cases}
<math>\Psi_{\text{WKB}}(x) = \begin{cases}
   \frac{N'}{ \sqrt{|p(x)|}} \cos\left(Q_2(x) - \frac \pi 4\right) & \text{if } x_1 < x < x_2 \\
 
   \frac{N'}{2\sqrt{|p(x)|}} \exp\left(Q_2(x) \right) & \text{if } x > x_2
   \frac{N'}{\sqrt{|p(x)|}} \cos{(\frac 1 \hbar \int_{x}^{x_2} |p(x)| dx - \frac \pi 4)} & \text{if } x_1 < x < x_2 \\  
\end{cases}</math>where <math display="inline">Q_2(x) = \frac{1}{\hbar} \int_x^{x_2} \left|p(x')\right| dx'</math>.
   \frac{N'}{2\sqrt{|p(x)|}}\exp{(-\frac 1 \hbar \int_{x_2}^{x}  |p(x)| dx )& \text{if } x > x_2\\ 
\end{cases}</math>


==== Common oscillating wavefunction ====
==== Common oscillating wavefunction ====
Matching the two solutions for region <math>x_1<x<x_2 </math>, it is required that the difference between the angles in these functions is <math>\pi(n+1/2)</math> where the <math>\frac \pi 2</math> phase difference accounts for changing cosine to sine for the wavefunction and <math>n \pi</math> difference since negation of the function can occur by letting <math>N= (-1)^n N' </math>. Thus:
Matching the two solutions for region <math>x_1<x<x_2 </math>, it is required that the difference between the angles in these functions is <math>\pi(n+1/2)</math> where the <math>\frac \pi 2</math> phase difference accounts for changing cosine to sine for the wavefunction and <math>n \pi</math> difference since negation of the function can occur by letting <math>N= (-1)^n N' </math>. Thus:
<math display="block">\int_{x_1}^{x_2} \sqrt{2m \left( E-V(x)\right)}\,dx = (n+1/2)\pi \hbar ,</math>
<math display="block">\int_{x_1}^{x_2} \sqrt{2m \left( E-V(x)\right)}\,dx = \left(n+\tfrac{1}{2}\right) \pi \hbar ,</math>
Where ''n'' is a non-negative integer. This condition can also be rewritten as saying that:
Where ''n'' is a non-negative integer. This condition can also be rewritten as saying that:
::The area enclosed by the classical energy curve is <math>2\pi\hbar(n+1/2)</math>.
{{block indent | text = The area enclosed by the classical energy curve is <math>2\pi\hbar(n+1/2)</math>.}}
Either way, the condition on the energy is a version of the [[Bohr–Sommerfeld quantization]] condition, with a "[[Lagrangian Grassmannian#Maslov index|Maslov correction]]" equal to 1/2.<ref>{{harvnb|Hall|2013}} Section 15.2</ref>
Either way, the condition on the energy is a version of the [[Bohr–Sommerfeld quantization]] condition, with a "[[Lagrangian Grassmannian#Maslov index|Maslov correction]]" equal to 1/2.<ref>{{harvnb|Hall|2013}} Section 15.2</ref>


It is possible to show that after piecing together the approximations in the various regions, one obtains a good approximation to the actual eigenfunction. In particular, the Maslov-corrected Bohr–Sommerfeld energies are good approximations to the actual eigenvalues of the Schrödinger operator.<ref>{{harvnb|Hall|2013}} Theorem 15.8</ref> Specifically, the error in the energies is small compared to the typical spacing of the quantum energy levels. Thus, although the "old quantum theory" of Bohr and Sommerfeld was ultimately replaced by the Schrödinger equation, some vestige of that theory remains, as an approximation to the eigenvalues of the appropriate Schrödinger operator.
It is possible to show that after piecing together the approximations in the various regions, one obtains a good approximation to the actual [[eigenfunction]]. In particular, the Maslov-corrected Bohr–Sommerfeld energies are good approximations to the actual eigenvalues of the Schrödinger operator.<ref>{{harvnb|Hall|2013}} Theorem 15.8</ref> Specifically, the error in the energies is small compared to the typical spacing of the quantum energy levels. Thus, although the "old quantum theory" of Bohr and Sommerfeld was ultimately replaced by the Schrödinger equation, some vestige of that theory remains, as an approximation to the eigenvalues of the appropriate Schrödinger operator.


==== General connection conditions ====
==== General connection conditions ====
Thus, from the two cases the connection formula is obtained at a classical turning point, <math>x=a
Thus, from the two cases the connection formula is obtained at a classical turning point, <math>x = a</math>:<ref name=":2" />
</math>:<ref name=":2" />


<math> \frac{N}{\sqrt{|p(x)|}} \sin{\left(\frac 1 \hbar \int_{x}^{a} |p(x)| dx - \frac \pi 4\right)} \Longrightarrow - \frac{N}{\sqrt{|p(x)|}}\exp{\left(\frac 1 \hbar \int_{a}^{x} |p(x)| dx \right)}   </math>
<math display="block"> \frac{N}{\sqrt{|p(x)|}} \sin{\left(\frac 1 \hbar \int_x^a |p(x)| dx - \frac \pi 4\right)} \Longrightarrow - \frac{N}{\sqrt{|p(x)|}}\exp{\left(\frac 1 \hbar \int_a^x |p(x)| dx \right)} </math>


and:
and:


<math> \frac{N'}{\sqrt{|p(x)|}} \cos{\left(\frac 1 \hbar \int_{x}^{a} |p(x)| dx - \frac \pi 4\right)} \Longleftarrow \frac{N'}{2\sqrt{|p(x)|}}\exp{\left(-\frac 1 \hbar \int_{a}^{x} |p(x)| dx \right)} </math>
<math display="block"> \frac{N'}{\sqrt{|p(x)|}} \cos{\left(\frac 1 \hbar \int_x^a |p(x)| dx - \frac \pi 4\right)} \Longleftarrow \frac{N'}{2\sqrt{|p(x)|}}\exp{\left(-\frac 1 \hbar \int_a^x |p(x)| dx \right)} </math>


The WKB wavefunction at the classical turning point away from it is approximated by oscillatory sine or cosine function in the classically allowed region, represented in the left and growing or decaying exponentials in the forbidden region, represented in the right. The implication follows due to the dominance of growing exponential compared to decaying exponential. Thus, the solutions of oscillating or exponential part of wavefunctions can imply the form of wavefunction on the other region of potential as well as at the associated turning point.
The WKB wavefunction at the classical turning point away from it is approximated by oscillatory sine or cosine function in the classically allowed region, represented in the left and growing or decaying exponentials in the forbidden region, represented in the right. The implication follows due to the dominance of growing exponential compared to decaying exponential. Thus, the solutions of oscillating or exponential part of wavefunctions can imply the form of wavefunction on the other region of potential as well as at the associated turning point.


===Probability density===
===Probability density===
One can then compute the probability density associated to the approximate wave function. The probability that the quantum particle will be found in the classically forbidden region is small. In the classically allowed region, meanwhile, the probability the quantum particle will be found in a given interval is approximately the ''fraction of time the classical particle spends in that interval'' over one period of motion.<ref>{{harvnb|Hall|2013}} Conclusion 15.5</ref> Since the classical particle's velocity goes to zero at the turning points, it spends more time near the turning points than in other classically allowed regions. This observation accounts for the peak in the wave function (and its probability density) near the turning points.
One can then compute the probability density associated to the approximate wave function. The probability that the quantum particle will be found in the classically forbidden region is small. In the classically allowed region, meanwhile, the probability the quantum particle will be found in a given interval is approximately the ''fraction of time the classical particle spends in that interval'' over one period of motion.<ref>{{harvnb|Hall|2013}} Conclusion 15.5</ref> Since the classical particle's velocity goes to zero at the turning points, it spends more time near the turning points than in other classically allowed regions. This observation accounts for the peak in the wave function (and its probability density) near the turning points.


Applications of the WKB method to Schrödinger equations with a large variety of potentials and comparison with perturbation methods and path integrals are treated in Müller-Kirsten.<ref>Harald J.W. Müller-Kirsten, Introduction to Quantum Mechanics: Schrödinger Equation and Path Integral, 2nd ed. (World Scientific, 2012).</ref>
Applications of the WKB method to Schrödinger equations with a large variety of potentials and comparison with perturbation methods and path integrals are treated in Müller-Kirsten.<ref>Harald J.W. Müller-Kirsten, Introduction to Quantum Mechanics: Schrödinger Equation and Path Integral, 2nd ed. (World Scientific, 2012).</ref>


== Examples in quantum mechanics ==
== Examples in quantum mechanics ==
Line 294: Line 290:
The potential of such systems can be given in the form:
The potential of such systems can be given in the form:


<math>V(x) = \begin{cases}
<math display="block">V(x) = \begin{cases}
V(x) & \text{if } x \geq x_1\\
V(x) & \text{if } x \geq x_1\\
   \infty & \text{if } x < x_1 \\
   \infty & \text{if } x < x_1 \\
  \end{cases}</math>
  \end{cases}</math>
Line 301: Line 297:
where <math display="inline">x_1 < x_2 </math>.
where <math display="inline">x_1 < x_2 </math>.


Finding wavefunction in bound region, i.e., within classical turning points <math display="inline">x_1 </math> and <math display="inline"> x_2 </math>, by considering approximations far from <math display="inline">x_1 </math> and <math display="inline">x_2 </math> respectively we have two solutions:


Finding wavefunction in bound region, ie. within classical turning points <math display="inline">x_1 </math> and <math display="inline">x_2 </math>, by considering approximations far from <math display="inline">x_1 </math> and <math display="inline">x_2 </math> respectively we have two solutions:
<math display="block">\begin{align}
 
\Psi_{\text{WKB}}(x) &= \frac{A}{\sqrt{|p(x)|}}\sin{\left(\frac 1 \hbar \int_x^{x_1} |p(x)| dx +\alpha \right)} \\
<math>\Psi_{\text{WKB}}(x) =  
\Psi_{\text{WKB}}(x) &= \frac{B}{\sqrt{|p(x)|}}\cos{\left(\frac 1 \hbar \int_x^{x_2} |p(x)| dx +\beta \right)}
\frac{A}{\sqrt{|p(x)|}}\sin{\left(\frac 1 \hbar \int_{x}^{x_1} |p(x)| dx +\alpha \right)}   </math>
\end{align} </math>
 
<math>\Psi_{\text{WKB}}(x) =  
\frac{B}{\sqrt{|p(x)|}}\cos{\left(\frac 1 \hbar \int_{x}^{x_2} |p(x)| dx +\beta \right)}     </math>


Since wavefunction must vanish near <math display="inline">x_1 </math>, we conclude <math display="inline">\alpha = 0 </math>. For airy functions near <math display="inline">x_2 </math>, we require <math display="inline">\beta = - \frac \pi 4   </math>. We require that angles within these functions have a phase difference <math>\pi(n+1/2)</math> where the <math>\frac \pi 2</math> phase difference accounts for changing sine to cosine and <math>n \pi</math> allowing <math>B= (-1)^n A </math>.
Since wavefunction must vanish near <math display="inline">x_1 </math>, we conclude <math display="inline">\alpha = 0 </math>. For airy functions near <math display="inline">x_2 </math>, we require <math display="inline">\beta = - \frac \pi 4 </math>. We require that angles within these functions have a phase difference <math>\pi(n+1/2)</math> where the <math>\frac \pi 2</math> phase difference accounts for changing sine to cosine and <math>n \pi</math> allowing <math>B= (-1)^n A </math>.


<math display="block">\frac 1 \hbar \int_{x_1}^{x_2} |p(x)| dx = \pi \left(n + \frac 3 4\right) </math>Where ''n'' is a non-negative integer.<ref name=":1" /> Note that the right hand side of this would instead be <math>\pi(n-1/4)</math> if n was only allowed to non-zero natural numbers.  
<math display="block">\frac 1 \hbar \int_{x_1}^{x_2} |p(x)| dx = \pi \left(n + \frac 3 4\right) </math>Where ''n'' is a non-negative integer.<ref name=":1" /> Note that the right hand side of this would instead be <math>\pi(n-1/4)</math> if n was only allowed to non-zero natural numbers.


 
Thus we conclude that, for <math display="inline">n = 1,2,3,\cdots </math>
Thus we conclude that, for <math display="inline">n = 1,2,3,\cdots     </math><math display="block">\int_{x_1}^{x_2} \sqrt{2m \left( E-V(x)\right)}\,dx = \left(n-\frac 1 4\right)\pi \hbar </math>In 3 dimensions with spherically symmetry, the same condition holds where the position x is replaced by radial distance r, due to its similarity with this problem.<ref>{{Cite book |last=Weinberg |first=Steven |url=http://dx.doi.org/10.1017/cbo9781316276105 |title=Lectures on Quantum Mechanics |date=2015-09-10 |publisher=Cambridge University Press |isbn=978-1-107-11166-0 |edition=2nd |pages=204|doi=10.1017/cbo9781316276105 }}</ref>
<math display="block">\int_{x_1}^{x_2} \sqrt{2m \left( E-V(x)\right)}\,dx = \left(n-\frac 1 4\right)\pi \hbar </math>
In 3 dimensions with spherically symmetry, the same condition holds where the position x is replaced by radial distance r, due to its similarity with this problem.<ref>{{Cite book |last=Weinberg |first=Steven |url=http://dx.doi.org/10.1017/cbo9781316276105 |title=Lectures on Quantum Mechanics |date=2015-09-10 |publisher=Cambridge University Press |isbn=978-1-107-11166-0 |edition=2nd |pages=204|doi=10.1017/cbo9781316276105 }}</ref>


=== Bound states within 2 rigid wall ===
=== Bound states within 2 rigid wall ===
The potential of such systems can be given in the form:
The potential of such systems can be given in the form:


<math>V(x) = \begin{cases}
<math display="block">V(x) = \begin{cases}
\infty & \text{if } x > x_2 \\
\infty & \text{if } x > x_2 \\
V(x) & \text{if } x_2 \geq x \geq x_1\\
V(x) & \text{if } x_2 \geq x \geq x_1\\
  \infty & \text{if } x < x_1 \\
\infty & \text{if } x < x_1 \\
\end{cases} </math>
\end{cases} </math>


where <math display="inline">x_1 < x_2 </math>.
where <math display="inline">x_1 < x_2 </math>.


For <math display="inline">E \geq V(x) </math> between <math display="inline">x_1 </math> and <math display="inline">x_2 </math> which are thus the classical turning points, by considering approximations far from <math display="inline">x_1 </math> and <math display="inline">x_2 </math> respectively we have two solutions:


For <math display="inline">E \geq V(x)         </math> between <math display="inline">x_1 </math> and <math display="inline">x_2 </math> which are thus the classical turning points, by considering approximations far from <math display="inline">x_1 </math> and <math display="inline">x_2 </math> respectively we have two solutions:
<math display="block">\begin{align}
 
\Psi_{\text{WKB}}(x) &= \frac{A}{\sqrt{|p(x)|}} \sin\left(\frac 1 \hbar \int_x^{x_1} |p(x)| dx \right) \\
<math>\Psi_{\text{WKB}}(x) =  
\Psi_{\text{WKB}}(x) &= \frac{B}{\sqrt{|p(x)|}} \sin\left(\frac 1 \hbar \int_x^{x_2} |p(x)| dx \right)
\frac{A}{\sqrt{|p(x)|}}\sin{\left(\frac 1 \hbar \int_{x}^{x_1} |p(x)| dx \right)}   </math>
\end{align} </math>


<math>\Psi_{\text{WKB}}(x) =  
Since wavefunctions must vanish at <math display="inline">x_1 </math> and <math display="inline">x_2 </math>. Here, the phase difference only needs to account for <math>n \pi</math> which allows <math>B = (-1)^n A </math>. Hence the condition becomes:
\frac{B}{\sqrt{|p(x)|}}\sin{\left(\frac 1 \hbar \int_{x}^{x_2} |p(x)| dx \right)}    </math>


Since wavefunctions must vanish at <math display="inline">x_1 </math> and <math display="inline">x_2 </math>. Here, the phase difference only needs to account for <math>n \pi</math> which allows <math>B= (-1)^n A </math>. Hence the condition becomes:
<math display="block">\int_{x_1}^{x_2} \sqrt{2m \left( E-V(x)\right)}\,dx = n\pi \hbar </math>
 
where <math display="inline">n = 1,2,3,\cdots </math> but not equal to zero since it makes the wavefunction zero everywhere.<ref name=":1" />
<math display="block">\int_{x_1}^{x_2} \sqrt{2m \left( E-V(x)\right)}\,dx = n\pi \hbar </math>where <math display="inline">n = 1,2,3,\cdots     </math> but not equal to zero since it makes the wavefunction zero everywhere.<ref name=":1" />


=== Quantum bouncing ball ===
=== Quantum bouncing ball ===
Consider the following potential a bouncing ball is subjected to:
Consider the following potential a bouncing ball is subjected to:


<math>V(x) = \begin{cases}
<math display="block">V(x) = \begin{cases}
mgx & \text{if } x \geq 0\\
mgx & \text{if } x \geq 0 \\
  \infty & \text{if } x < 0 \\
\infty & \text{if } x < 0
\end{cases}</math>
\end{cases}</math>


The wavefunction solutions of the above can be solved using the WKB method by considering only odd parity solutions of the alternative potential <math>V(x) = mg|x|</math>. The classical turning points are identified <math display="inline">x_1 = - {E \over mg}   </math> and <math display="inline">x_2 = {E \over mg}   </math>. Thus applying the quantization condition obtained in WKB:
The wavefunction solutions of the above can be solved using the WKB method by considering only odd parity solutions of the alternative potential <math>V(x) = mg|x|</math>. The classical turning points are identified <math display="inline">x_1 = - {E \over mg} </math> and <math display="inline">x_2 = {E \over mg} </math>. Thus applying the quantization condition obtained in WKB:


<math display="block">\int_{x_1}^{x_2} \sqrt{2m \left( E-V(x)\right)}\,dx = (n_{\text{odd}}+1/2)\pi \hbar</math>
<math display="block">\int_{x_1}^{x_2} \sqrt{2m \left( E-V(x)\right)}\,dx = (n_{\text{odd}}+1/2)\pi \hbar</math>


Letting <math display="inline">n_{\text{odd}}=2n-1 </math> where <math display="inline">n = 1,2,3,\cdots     </math>, solving for <math display="inline">E </math> with given <math>V(x) = mg|x|</math>, we get the quantum mechanical energy of a bouncing ball:<ref>{{Cite book |last1=Sakurai |first1=Jun John |title=Modern quantum mechanics |last2=Napolitano |first2=Jim |date=2021 |publisher=Cambridge University Press |isbn=978-1-108-47322-4 |edition=3rd |location=Cambridge}}</ref>
Letting <math display="inline">n_{\text{odd}}=2n-1 </math> where <math display="inline">n = 1,2,3,\cdots </math>, solving for <math display="inline">E </math> with given <math>V(x) = mg|x|</math>, we get the quantum [[mechanical energy]] of a bouncing ball:<ref>{{Cite book |last1=Sakurai |first1=Jun John |title=Modern quantum mechanics |last2=Napolitano |first2=Jim |date=2021 |publisher=Cambridge University Press |isbn=978-1-108-47322-4 |edition=3rd |location=Cambridge}}</ref>


<math display="block">E = {\left(3\left(n-\frac 1 4\right)\pi\right)^{\frac 2 3} \over 2}(mg^2\hbar^2)^{\frac 1 3}. </math>
<math display="block">E = {\left(3\left(n-\frac 1 4\right)\pi\right)^{\frac 2 3} \over 2}(mg^2\hbar^2)^{\frac 1 3}. </math>


This result is also consistent with the use of equation from bound state of one rigid wall without needing to consider an alternative potential.
This result is also consistent with the use of equation from [[bound state]] of one rigid wall without needing to consider an alternative potential.


=== Quantum Tunneling ===
=== Quantum tunneling ===
{{Main|Quantum tunnelling}}
{{Main|Quantum tunnelling}}
The potential of such systems can be given in the form:
The potential of such systems can be given in the form:
Line 366: Line 360:
0 & \text{if } x < x_1 \\
0 & \text{if } x < x_1 \\
V(x) & \text{if } x_2 \geq x \geq x_1\\
V(x) & \text{if } x_2 \geq x \geq x_1\\
0 & \text{if } x > x_2 \\  
0 & \text{if } x > x_2 \\
\end{cases} </math>
\end{cases} </math>
 
where <math display="inline">x_1 < x_2 </math>.


where <math display="inline">x_1 < x_2 </math>.


Its solutions for an incident wave is given as
Its solutions for an incident wave is given as


<math display="block">\psi(x) = \begin{cases}
<math display="block">\psi(x) = \begin{cases}
A \exp({ i p_0 x \over \hbar} ) + B \exp({- i p_0 x \over \hbar}) & \text{if } x < x_1 \\
A e^{i k_0 x} + B e^{-i k_0 x} & \text{if } x < x_1 \\[1ex]
\frac{C}{\sqrt{|p(x)|}}\exp{(-\frac 1 \hbar \int_{x_1}^{x} |p(x)| dx )} & \text{if } x_2 \geq x \geq x_1\\  
\frac{C}{\sqrt{|p(x)|}}\exp\left(-\frac 1 \hbar \int_{x_1}^{x} |p(x)| dx \right) & \text{if } x_2 \geq x \geq x_1\\[1ex]
D \exp({ i p_0 x \over \hbar} & \text{if } x > x_2 \\
D e^{i k_0 x} & \text{if } x > x_2
\end{cases}</math>


\end{cases}  </math>
with <math>k_0 = p_0/\hbar</math>, where the wavefunction in the classically forbidden region is the WKB approximation but neglecting the growing exponential. This is a fair assumption for wide potential barriers through which the wavefunction is not expected to grow to high magnitudes.


where the wavefunction in the classically forbidden region is the WKB approximation but neglecting the growing exponential. This is a fair assumption for wide potential barriers through which the wavefunction is not expected to grow to high magnitudes.
By the requirement of continuity of wavefunction and its derivatives, the following relation can be shown:<math display="block">\frac {|D|^2} {|A|^2} = \frac{4}{(1+{a_1^2}/{p_0^2} )} \frac{a_1}{a_2}\exp\left(-\frac 2 \hbar \int_{x_1}^{x_2} |p(x')| dx'\right) </math>


where <math>a_1 = |p(x_1)|</math> and <math>a_2 = |p(x_2)| </math>.


By the requirement of continuity of wavefunction and its derivatives, the following relation can be shown:<math display="block">\frac {|D|^2} {|A|^2} = \frac{4}{(1+{a_1^2}/{p_0^2} )} \frac{a_1}{a_2}\exp\left(-\frac 2 \hbar \int_{x_1}^{x_2} |p(x')| dx'\right)    </math>
Using <math display="inline">\mathbf J(\mathbf x,t) = \frac{i\hbar}{2m} \left(\psi^* \nabla\psi - \psi\nabla\psi^*\right) </math> we express the values without signs as:
 
where <math>a_1 = |p(x_1)|</math> and <math>a_2 = |p(x_2)|    </math>.
 
 
Using <math display="inline">\mathbf J(\mathbf x,t) = \frac{i\hbar}{2m}(\psi^* \nabla\psi-\psi\nabla\psi^*) </math> we express the values without signs as:
 
<math display="inline">J_{\text{inc.}} = \frac{\hbar}{2m}(\frac{2p_0}{\hbar}|A|^2) </math>
 
<math display="inline">J_{\text{ref.}} = \frac{\hbar}{2m}(\frac{2p_0}{\hbar}|B|^2)  </math>
 
<math display="inline">J_{\text{trans.}} = \frac{\hbar}{2m}(\frac{2p_0}{\hbar}|D|^2)  </math>


<math display="block">\begin{align}
J_{\text{inc.}} &= \tfrac{\hbar}{2m} \left(\tfrac{2p_0}{\hbar}|A|^2\right) \\
J_{\text{ref.}} &= \tfrac{\hbar}{2m} \left(\tfrac{2p_0}{\hbar}|B|^2\right) \\
J_{\text{trans.}} &= \tfrac{\hbar}{2m} \left(\tfrac{2p_0}{\hbar}|D|^2\right)
\end{align} </math>


Thus, the [[transmission coefficient]] is found to be:
Thus, the [[transmission coefficient]] is found to be:


<math display="block">T = \frac {|D|^2} {|A|^2} = \frac{4}{(1+{a_1^2}/{p_0^2} )} \frac{a_1}{a_2}\exp\left(-\frac 2 \hbar \int_{x_1}^{x_2} |p(x')| dx'\right)   </math>
<math display="block">T = \frac {|D|^2} {|A|^2} = \frac{4}{\left(1 + {a_1^2}/{p_0^2} \right)} \frac{a_1}{a_2}\exp\left(-\frac 2 \hbar \int_{x_1}^{x_2} |p(x')| dx'\right) </math>


where <math display="inline">p(x) = \sqrt {2m( E - V(x))}       </math>, <math>a_1 = |p(x_1)|</math> and <math>a_2 = |p(x_2)|   </math>. The result can be stated as <math display="inline">T \sim ~ e^{-2\gamma} </math> where <math display="inline">\gamma = \int_{x_1}^{x_2} |p(x')| dx' </math>.<ref name=":1" />
where {{nowrap|<math display="inline">p(x) = \sqrt {2m \left( E - V(x)\right)} </math>,}} <math>a_1 = |p(x_1)|</math> and <math>a_2 = |p(x_2)| </math>. The result can be stated as <math display="inline">T \sim ~ e^{-2\gamma} </math> where <math display="inline">\gamma = \int_{x_1}^{x_2} |p(x')| dx' </math>.<ref name=":1" />


==See also==
==See also==

Latest revision as of 11:14, 29 December 2025

Template:Short description Script error: No such module "Redirect hatnote". In mathematical physics, the WKB approximation or WKB method is a technique for finding approximate solutions to linear differential equations with spatially varying coefficients. It is typically used for a semiclassical calculation in quantum mechanics in which the wave function is recast as an exponential function, semiclassically expanded, and then either the amplitude or the phase is taken to be changing slowly.

The name is an initialism for Wentzel–Kramers–Brillouin. It is also known as the LG or Liouville–Green method. Other often-used letter combinations include JWKB and WKBJ, where the "J" stands for Jeffreys.

Brief history

This method is named after physicists Gregor Wentzel, Hendrik Anthony Kramers, and Léon Brillouin, who all developed it in 1926.[1][2][3][4] In 1923,[5] mathematician Harold Jeffreys had developed a general method of approximating solutions to linear, second-order differential equations, a class that includes the Schrödinger equation. The Schrödinger equation itself was not developed until two years later, and Wentzel, Kramers, and Brillouin were apparently unaware of this earlier work, so Jeffreys is often neglected credit. Early texts in quantum mechanics contain any number of combinations of their initials, including WBK, BWK, WKBJ, JWKB and BWKJ. An authoritative discussion and critical survey has been given by Robert B. Dingle.[6]

Earlier appearances of essentially equivalent methods are: Francesco Carlini in 1817,[7] Joseph Liouville in 1837,[8] George Green in 1837,[9] Lord Rayleigh in 1912[10] and Richard Gans in 1915.[11] Liouville and Green may be said to have founded the method in 1837, and it is also commonly referred to as the Liouville–Green or LG method.[12][13]

The important contribution of Jeffreys, Wentzel, Kramers, and Brillouin to the method was the inclusion of the treatment of turning points, connecting the evanescent and oscillatory solutions at either side of the turning point. For example, this may occur in the Schrödinger equation, due to a potential energy hill.

Formulation

Generally, WKB theory is a method for approximating the solution of a differential equation whose highest derivative is multiplied by a small parameter Template:Mvar. The method of approximation is as follows.

For a differential equation εdnydxn+a(x)dn1ydxn1++k(x)dydx+m(x)y=0, assume a solution of the form of an asymptotic series expansion y(x)exp[1δn=0δnSn(x)] in the limit δ → 0Script error: No such module "Check for unknown parameters".. The asymptotic scaling of Template:Mvar in terms of Template:Mvar will be determined by the equation – see the example below.

Substituting the above ansatz into the differential equation and cancelling out the exponential terms allows one to solve for an arbitrary number of terms Sn(x)Script error: No such module "Check for unknown parameters". in the expansion.

WKB theory is a special case of multiple scale analysis.[14][15][16]

An example

This example comes from the text of Carl M. Bender and Steven Orszag.[16] Consider the second-order homogeneous linear differential equation ε2d2ydx2=Q(x)y, where Q(x)0. Substituting y(x)=exp[1δn=0δnSn(x)] results in the equation ε2[1δ2(n=0δnSn)2+1δn=0δnSn]=Q(x).

To leading order in ε (assuming, for the moment, the series will be asymptotically consistent), the above can be approximated as ε2δ2S02+2ε2δS0S1+ε2δS0=Q(x).

In the limit δ → 0Script error: No such module "Check for unknown parameters"., the dominant balance is given by ε2δ2S02Q(x).

So Template:Mvar is proportional to ϵ. Setting them equal and comparing powers yields ε0:S02=Q(x), which can be recognized as the eikonal equation, with solution S0(x)=±x0xQ(x)dx.

Considering first-order powers of Template:Mvar fixes ε1:2S0S1+S0=0. This has the solution S1(x)=14lnQ(x)+k1, where k1Script error: No such module "Check for unknown parameters". is an arbitrary constant.

We now have a pair of approximations to the system (a pair, because S0Script error: No such module "Check for unknown parameters". can take two signs); the first-order WKB-approximation will be a linear combination of the two: y(x)c1Q14(x)exp(1εx0xQ(t)dt)+c2Q14(x)exp(1εx0xQ(t)dt).

Higher-order terms can be obtained by looking at equations for higher powers of Template:Mvar. Explicitly, 2S0Sn+Sn1+j=1n1SjSnj=0 for n ≥ 2Script error: No such module "Check for unknown parameters"..

Precision of the asymptotic series

The asymptotic series for y(x)Script error: No such module "Check for unknown parameters". is usually a divergent series, whose general term δn Sn(x)Script error: No such module "Check for unknown parameters". starts to increase after a certain value n = nmaxScript error: No such module "Check for unknown parameters".. Therefore, the smallest error achieved by the WKB method is at best of the order of the last included term.

For the equation ε2d2ydx2=Q(x)y, with Q(x) <0Script error: No such module "Check for unknown parameters". an analytic function, the value nmax and the magnitude of the last term can be estimated as follows:[17] nmax2ε|x0xQ(z)dz|, δnmaxSnmax(x0)2πnmaxenmax, where x0 is the point at which y(x0) needs to be evaluated and x is the (complex) turning point where Q(x)=0, closest to x=x0.

The number nmaxScript error: No such module "Check for unknown parameters". can be interpreted as the number of oscillations between x0 and the closest turning point.

If ε1Q(x) is a slowly changing function, ε|dQdx|Q2,[might be Q3/2?] the number nmaxScript error: No such module "Check for unknown parameters". will be large, and the minimum error of the asymptotic series will be exponentially small.

Application in non-relativistic quantum mechanics

File:WKB approximation example.svg
WKB approximation to the indicated potential. Vertical lines show the turning points
File:WKB approximation to probability density.svg
Probability density for the approximate wave function. Vertical lines show the turning points

The above example may be applied specifically to the one-dimensional, time-independent Schrödinger equation, 22md2dx2Ψ(x)+V(x)Ψ(x)=EΨ(x), which can be rewritten as d2dx2Ψ(x)=2m2(V(x)E)Ψ(x).

Approximation away from the turning points

The wavefunction can be rewritten as the exponential of another function SScript error: No such module "Check for unknown parameters". (closely related to the action), which could be complex, Ψ(𝐱)=eiS(𝐱)/, so that its substitution in Schrödinger's equation gives:

i2S(𝐱)(S(𝐱))2=2m(V(𝐱)E),

Next, the semi-classical approximation is used. This means that each function is expanded as a power series in Template:Mvar. S=S0+S1+2S2+ Substituting in the equation, and only retaining terms up to first order in Script error: No such module "Check for unknown parameters"., we get: (S0+S1)2i(2S0)=2m(EV(𝐱)) which gives the following two relations: (S0)2=2m(EV(𝐱))=(p(𝐱))22S0S1i2S0=0 which can be solved for 1D systems, first equation resulting in:S0(x)=±2m(EV(x))dx=±p(x)dxand the second equation computed for the possible values of the above, is generally expressed as:Ψ(x)C+e+ip(x)dx|p(x)|+Ceip(x)dx|p(x)|

Thus, the resulting wavefunction in first order WKB approximation is presented as,[18][19] Template:Equation box 1

In the classically allowed region, namely the region where V(x)<E the integrand in the exponent is imaginary and the approximate wave function is oscillatory. In the classically forbidden region V(x)>E, the solutions are growing or decaying. It is evident in the denominator that both of these approximate solutions become singular near the classical turning points, where E = V(x)Script error: No such module "Check for unknown parameters"., and cannot be valid. (The turning points are the points where the classical particle changes direction.)

Hence, when E>V(x), the wavefunction can be chosen to be expressed as:Ψ(x)1|p(x)|[Ccos(1|p(x)|dx+α)+Dsin(1|p(x)|dx+α)]and for V(x)>E,Ψ(x)C+e1|p(x)|dx|p(x)|+Ce+1|p(x)|dx|p(x)|.The integration in this solution is computed between the classical turning point and the arbitrary position x'.

Validity of WKB solutions

From the condition: (S0(x))2(p(x))2+(2S0(x)S1(x)iS0(x))=0

It follows that: |2S0(x)S1(x)|+|iS0(x)||(S0(x))2|+|(p(x))2|

For which the following two inequalities are equivalent since the terms in either side are equivalent, as used in the WKB approximation:

|S0(x)||(S0(x))2|2|S0S1||(p(x))2|

The first inequality can be used to show the following:

|S0(x)||p(x)|212|p(x)||dp2dx||p(x)|2λ|dVdx||p|2m

where |S0(x)|=|p(x)| is used and λ(x) is the local de Broglie wavelength of the wavefunction. The inequality implies that the variation of potential is assumed to be slowly varying.[19][20] This condition can also be restated as the fractional change of EV(x) or that of the momentum p(x), over the wavelength λ, being much smaller than 1.[21]

Similarly it can be shown that λ(x) also has restrictions based on underlying assumptions for the WKB approximation that:|dλdx|1which implies that the de Broglie wavelength of the particle is slowly varying.[20]

Behavior near the turning points

We now consider the behavior of the wave function near the turning points. For this, we need a different method. Near the first turning points, x1Script error: No such module "Check for unknown parameters"., the term 2m2(V(x)E) can be expanded in a power series, 2m2(V(x)E)=U1(xx1)+U2(xx1)2+.

To first order, one finds d2dx2Ψ(x)=U1(xx1)Ψ(x). This differential equation is known as the Airy equation, and the solution may be written in terms of Airy functions,[22] Ψ(x)=CAAi(U13(xx1))+CBBi(U13(xx1))=CAAi(u)+CBBi(u).

Although for any fixed value of , the wave function is bounded near the turning points, the wave function will be peaked there, as can be seen in the images above. As gets smaller, the height of the wave function at the turning points grows. It also follows from this approximation that:

1p(x)dx=U1xadx=23[U13(xa)]32=23u32

Connection conditions

It now remains to construct a global (approximate) solution to the Schrödinger equation. For the wave function to be square-integrable, we must take only the exponentially decaying solution in the two classically forbidden regions. These must then "connect" properly through the turning points to the classically allowed region. For most values of EScript error: No such module "Check for unknown parameters"., this matching procedure will not work: The function obtained by connecting the solution near

+

to the classically allowed region will not agree with the function obtained by connecting the solution near

to the classically allowed region. The requirement that the two functions agree imposes a condition on the energy EScript error: No such module "Check for unknown parameters"., which will give an approximation to the exact quantum energy levels.

File:WKB approximation example.svg
WKB approximation to the indicated potential. Vertical lines show the energy level and its intersection with potential shows the turning points with dotted lines. The problem has two classical turning points with U1<0 at x=x1 and U1>0 at x=x2.

The wavefunction's coefficients can be calculated for a simple problem shown in the figure. Let the first turning point, where the potential is decreasing over x, occur at

x=x1

and the second turning point, where potential is increasing over x, occur at

x=x2

. Given that we expect wavefunctions to be of the following form, we can calculate their coefficients by connecting the different regions using Airy and Bairy functions.

ΨV>E(x)u14[Aexp(23u32)+Bexp(23u32)]ΨE>V(x)u14[Ccos(23u32α)+Dsin(23u32α)]

First classical turning point

For U1<0 ie. decreasing potential condition or x=x1 in the given example shown by the figure, we require the exponential function to decay for negative values of x so that wavefunction for it to go to zero. Considering Bairy functions to be the required connection formula, we get:[23]

Bi(u)1π1u4sin(23|u|32π4)whereuBi(u)1π1u4exp(23u32)whereu+

We cannot use Airy function since it gives growing exponential behaviour for negative x. When compared to WKB solutions and matching their behaviours at ±, we conclude:

A=D=N, B=C=0 and α=π4.

Thus, letting some normalization constant be N, the wavefunction is given for increasing potential (with x) as:[19]

ΨWKB(x)=N|p(x)|{exp(Q1(x))if x<x1sin(Q1(x)π4)if x2>x>x1where Q1(x)=1xx1|p(x)|dx.

Second classical turning point

For U1>0 ie. increasing potential condition or x=x2 in the given example shown by the figure, we require the exponential function to decay for positive values of x so that wavefunction for it to go to zero. Considering Airy functions to be the required connection formula, we get:[23]

Ai(u)12π1u4e23u32where,u+Ai(u)1π1u4cos(23|u|32π4)where,u

We cannot use Bairy function since it gives growing exponential behaviour for positive x. When compared to WKB solutions and matching their behaviours at ±, we conclude:

2B=C=N, D=A=0 and α=π4.

Thus, letting some normalization constant be N, the wavefunction is given for increasing potential (with x) as:[19]

ΨWKB(x)={N|p(x)|cos(Q2(x)π4)if x1<x<x2N2|p(x)|exp(Q2(x))if x>x2where Q2(x)=1xx2|p(x)|dx.

Common oscillating wavefunction

Matching the two solutions for region x1<x<x2, it is required that the difference between the angles in these functions is π(n+1/2) where the π2 phase difference accounts for changing cosine to sine for the wavefunction and nπ difference since negation of the function can occur by letting N=(1)nN. Thus: x1x22m(EV(x))dx=(n+12)π, Where n is a non-negative integer. This condition can also be rewritten as saying that: Template:Block indent Either way, the condition on the energy is a version of the Bohr–Sommerfeld quantization condition, with a "Maslov correction" equal to 1/2.[24]

It is possible to show that after piecing together the approximations in the various regions, one obtains a good approximation to the actual eigenfunction. In particular, the Maslov-corrected Bohr–Sommerfeld energies are good approximations to the actual eigenvalues of the Schrödinger operator.[25] Specifically, the error in the energies is small compared to the typical spacing of the quantum energy levels. Thus, although the "old quantum theory" of Bohr and Sommerfeld was ultimately replaced by the Schrödinger equation, some vestige of that theory remains, as an approximation to the eigenvalues of the appropriate Schrödinger operator.

General connection conditions

Thus, from the two cases the connection formula is obtained at a classical turning point, x=a:[20]

N|p(x)|sin(1xa|p(x)|dxπ4)N|p(x)|exp(1ax|p(x)|dx)

and:

N|p(x)|cos(1xa|p(x)|dxπ4)N2|p(x)|exp(1ax|p(x)|dx)

The WKB wavefunction at the classical turning point away from it is approximated by oscillatory sine or cosine function in the classically allowed region, represented in the left and growing or decaying exponentials in the forbidden region, represented in the right. The implication follows due to the dominance of growing exponential compared to decaying exponential. Thus, the solutions of oscillating or exponential part of wavefunctions can imply the form of wavefunction on the other region of potential as well as at the associated turning point.

Probability density

One can then compute the probability density associated to the approximate wave function. The probability that the quantum particle will be found in the classically forbidden region is small. In the classically allowed region, meanwhile, the probability the quantum particle will be found in a given interval is approximately the fraction of time the classical particle spends in that interval over one period of motion.[26] Since the classical particle's velocity goes to zero at the turning points, it spends more time near the turning points than in other classically allowed regions. This observation accounts for the peak in the wave function (and its probability density) near the turning points.

Applications of the WKB method to Schrödinger equations with a large variety of potentials and comparison with perturbation methods and path integrals are treated in Müller-Kirsten.[27]

Examples in quantum mechanics

Although WKB potential only applies to smoothly varying potentials,[20] in the examples where rigid walls produce infinities for potential, the WKB approximation can still be used to approximate wavefunctions in regions of smoothly varying potentials. Since the rigid walls have highly discontinuous potential, the connection condition cannot be used at these points and the results obtained can also differ from that of the above treatment.[19]

Bound states for 1 rigid wall

The potential of such systems can be given in the form:

V(x)={V(x)if xx1if x<x1

where x1<x2.

Finding wavefunction in bound region, i.e., within classical turning points x1 and x2, by considering approximations far from x1 and x2 respectively we have two solutions:

ΨWKB(x)=A|p(x)|sin(1xx1|p(x)|dx+α)ΨWKB(x)=B|p(x)|cos(1xx2|p(x)|dx+β)

Since wavefunction must vanish near x1, we conclude α=0. For airy functions near x2, we require β=π4. We require that angles within these functions have a phase difference π(n+1/2) where the π2 phase difference accounts for changing sine to cosine and nπ allowing B=(1)nA.

1x1x2|p(x)|dx=π(n+34)Where n is a non-negative integer.[19] Note that the right hand side of this would instead be π(n1/4) if n was only allowed to non-zero natural numbers.

Thus we conclude that, for n=1,2,3, x1x22m(EV(x))dx=(n14)π In 3 dimensions with spherically symmetry, the same condition holds where the position x is replaced by radial distance r, due to its similarity with this problem.[28]

Bound states within 2 rigid wall

The potential of such systems can be given in the form:

V(x)={if x>x2V(x)if x2xx1if x<x1

where x1<x2.

For EV(x) between x1 and x2 which are thus the classical turning points, by considering approximations far from x1 and x2 respectively we have two solutions:

ΨWKB(x)=A|p(x)|sin(1xx1|p(x)|dx)ΨWKB(x)=B|p(x)|sin(1xx2|p(x)|dx)

Since wavefunctions must vanish at x1 and x2. Here, the phase difference only needs to account for nπ which allows B=(1)nA. Hence the condition becomes:

x1x22m(EV(x))dx=nπ where n=1,2,3, but not equal to zero since it makes the wavefunction zero everywhere.[19]

Quantum bouncing ball

Consider the following potential a bouncing ball is subjected to:

V(x)={mgxif x0if x<0

The wavefunction solutions of the above can be solved using the WKB method by considering only odd parity solutions of the alternative potential V(x)=mg|x|. The classical turning points are identified x1=Emg and x2=Emg. Thus applying the quantization condition obtained in WKB:

x1x22m(EV(x))dx=(nodd+1/2)π

Letting nodd=2n1 where n=1,2,3,, solving for E with given V(x)=mg|x|, we get the quantum mechanical energy of a bouncing ball:[29]

E=(3(n14)π)232(mg22)13.

This result is also consistent with the use of equation from bound state of one rigid wall without needing to consider an alternative potential.

Quantum tunneling

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V(x)={0if x<x1V(x)if x2xx10if x>x2

where x1<x2.

Its solutions for an incident wave is given as

ψ(x)={Aeik0x+Beik0xif x<x1C|p(x)|exp(1x1x|p(x)|dx)if x2xx1Deik0xif x>x2

with k0=p0/, where the wavefunction in the classically forbidden region is the WKB approximation but neglecting the growing exponential. This is a fair assumption for wide potential barriers through which the wavefunction is not expected to grow to high magnitudes.

By the requirement of continuity of wavefunction and its derivatives, the following relation can be shown:|D|2|A|2=4(1+a12/p02)a1a2exp(2x1x2|p(x)|dx)

where a1=|p(x1)| and a2=|p(x2)|.

Using 𝐉(𝐱,t)=i2m(ψ*ψψψ*) we express the values without signs as:

Jinc.=2m(2p0|A|2)Jref.=2m(2p0|B|2)Jtrans.=2m(2p0|D|2)

Thus, the transmission coefficient is found to be:

T=|D|2|A|2=4(1+a12/p02)a1a2exp(2x1x2|p(x)|dx)

where p(x)=2m(EV(x)), a1=|p(x1)| and a2=|p(x2)|. The result can be stated as Te2γ where γ=x1x2|p(x)|dx.[19]

See also

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References

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  27. Harald J.W. Müller-Kirsten, Introduction to Quantum Mechanics: Schrödinger Equation and Path Integral, 2nd ed. (World Scientific, 2012).
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Further reading

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External links

  • Script error: No such module "citation/CS1". (An application of the WKB approximation to the scattering of radio waves from the ionosphere.)