Pauli matrices

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File:Wolfgang Pauli.jpg
Wolfgang Pauli (1900–1958), c. 1924. Pauli received the Nobel Prize in Physics in 1945, nominated by Albert Einstein, for the Pauli exclusion principle.

In mathematical physics and mathematics, the Pauli matrices are a set of three 2×2 complex matrices that are traceless, Hermitian, involutory and unitary. They are usually denoted by the Greek letter σ (sigma), and occasionally by τ (tau) when used in connection with isospin symmetries.σ1=σx=(0110),σ2=σy=(0ii0),σ3=σz=(1001).

These matrices are named after the physicist Wolfgang Pauli. In quantum mechanics, they occur in the Pauli equation, which takes into account the interaction of the spin of a particle with an external electromagnetic field. They also represent the interaction states of two polarization filters for horizontal/vertical polarization, 45 degree polarization (right/left), and circular polarization (right/left).

Each Pauli matrix is Hermitian, and together with the identity matrix 𝕀 (sometimes considered as the zeroth Pauli matrix σ0), the Pauli matrices form a basis of the vector space of 2×2 Hermitian matrices over the real numbers, under addition. This means that any 2×2 Hermitian matrix can be written in a unique way as a linear combination of Pauli matrices, with all coefficients being real numbers.

The Pauli matrices satisfy the useful product relation:

σi σj=δij 𝕀+i εijk σk ,

where δij is the Kronecker delta, which equals +1 if i=j otherwise 0, and the Levi-Civita symbol εijkis used.

Hermitian operators represent observables in quantum mechanics, so the Pauli matrices span the space of observables of the complex two-dimensional Hilbert space. In the context of Pauli's work, σk represents the observable corresponding to spin along the kth coordinate axis in three-dimensional Euclidean space 3.

The Pauli matrices (after multiplication by i to make them anti-Hermitian) also generate transformations in the sense of Lie algebras: The matrices iσ1, iσ2, and iσ3 form a basis for the real Lie algebra 𝔰𝔲(2), which exponentiates to the special unitary group SU(2).Template:Efn The algebra generated by the three Pauli matrices is isomorphic to the Clifford algebra of  3[1] and the (unital) associative algebra generated by iσ1, iσ2, and iσ3 functions identically (is isomorphic) to that of quaternions ().

Algebraic properties

Cayley table; the entry shows the value of the row times the column.
× σx σy σz
σx I i σz i σy
σy i σz I i σx
σz iσy i σx I

All three of the Pauli matrices can be compacted into a single expression:

σj=(δj3δj1i δj2δj1+i δj2δj3).

This expression is useful for "selecting" any one of the matrices numerically by substituting values of j{1,2,3} in turn useful when any of the matrices (but no particular one) is to be used in algebraic manipulations.

The matrices are involutory:

σ12=σ22=σ32=i σ1 σ2 σ3=(1001)=𝕀,

where 𝕀 is the identity matrix.

The determinants and traces of the Pauli matrices are

detσj=1 ,trσj=0 ,

from which we can deduce that each matrix σj has eigenvalues ±1.

With the inclusion of the identity matrix 𝕀 (sometimes denoted σ0), the Pauli matrices form an orthogonal basis (in the sense of Hilbert–Schmidt) of the Hilbert space  2  of 2×2 Hermitian matrices over and the Hilbert space 2,2() of all complex 2×2 matrices over .

Commutation and anti-commutation relations

Commutation relations

The Pauli matrices obey the following commutation relations:

[σj,σk]=2 i εjkl σl.

These commutation relations make the Pauli matrices the generators of a representation of the Lie algebra (3,×)  𝔰𝔲(2)  𝔰𝔬(3).

Anticommutation relations

They also satisfy the anticommutation relations:

{σj,σk}=2 δjk I ,

where {σj,σk} is defined as  σj σk+σk σj , and δjkScript error: No such module "Check for unknown parameters". is the Kronecker delta. Template:Mvar denotes the 2 × 2Script error: No such module "Check for unknown parameters". identity matrix.

These anti-commutation relations make the Pauli matrices the generators of a representation of the Clifford algebra for  3 , denoted  Cl3().

The usual construction of generators  σjk=14[σj,σk]  of  𝔰𝔬(3)  using the Clifford algebra recovers the commutation relations above, up to unimportant numerical factors.

A few explicit commutators and anti-commutators are given below as examples:

Commutators Anticommutators
[ σ1,σ1 ]=0[ σ1,σ2 ]=2 i σ3[ σ2,σ3 ]=2 i σ1[ σ3,σ1 ]=2 i σ2     { σ1,σ1 }=2 I{ σ1,σ2 }=0{ σ2,σ3 }=0{ σ3,σ1 }=0

Eigenvectors and eigenvalues

Each of the (Hermitian) Pauli matrices has two eigenvalues: ±1. The corresponding normalized eigenvectors are

ψx+=12[11],ψx=12[11],ψy+=12[1i],ψy=12[1i],ψz+=[10],ψz=[01].

Pauli vectors

The Pauli vector is defined byTemplate:Efn σ=σ1x^1+σ2x^2+σ3x^3, where x^1, x^2, and x^3 are an equivalent notation for the more familiar x^, y^, and z^.

The Pauli vector provides a mapping mechanism from a vector basis to a Pauli matrix basis[2] as follows: aσ=k,lakσx^kx^=kakσk=(a3a1ia2a1+ia2a3).

More formally, this defines a map from 3 to the vector space of traceless Hermitian 2×2 matrices. This map encodes structures of 3 as a normed vector space and as a Lie algebra (with the cross-product as its Lie bracket) via functions of matrices, making the map an isomorphism of Lie algebras. This makes the Pauli matrices intertwiners from the point of view of representation theory.

Another way to view the Pauli vector is as a  2×2  Hermitian traceless matrix-valued dual vector, that is, an element of  Mat2×2()(3)*  that maps aaσ

Completeness relation

Each component of a can be recovered from the matrix (see completeness relation below) 12tr[( aσ ) σ ]=a This constitutes an inverse to the map aaσ, making it manifest that the map is a bijection.

Determinant

The norm is given by the determinant (up to a minus sign) det( aσ ) = aa = | a |2. Then, considering the conjugation action of an  SU(2)  matrix U on this space of matrices,

 U*aσ := U aσ U1 ,

we find  det(U*aσ) = det(aσ) , and that  U*aσ  is Hermitian and traceless. It then makes sense to define  U*aσ = aσ , where  a  has the same norm as a, and therefore interpret U as a rotation of three-dimensional space. In fact, it turns out that the special restriction on U implies that the rotation is orientation preserving. This allows the definition of a map  R:SU(2)SO(3)  given by

 U*aσ = aσ =: (R(U) a)σ ,

where  R(U)  SO(3). This map is the concrete realization of the double cover of  SO(3)  by  SU(2) , and therefore shows that  SU(2)  Spin(3). The components of R(U) can be recovered using the tracing process above:

 R(U)ij=12 tr( σiUσjU1 ).

Cross-product

The cross-product is given by the matrix commutator (up to a factor of  2 i ) [ aσ, bσ ]=2 i (a×b)σ. In fact, the existence of a norm follows from the fact that  3  is a Lie algebra (see Killing form).

This cross-product can be used to prove the orientation-preserving property of the map above.

Eigenvalues and eigenvectors

The eigenvalues of  aσ  are  ±|a|. This follows immediately from tracelessness and explicitly computing the determinant.

More abstractly, without computing the determinant, which requires explicit properties of the Pauli matrices, this follows from  (aσ)2|a|2=0 , since this can be factorised into  (aσ|a|)(aσ+|a|)=0. A standard result in linear algebra (a linear map that satisfies a polynomial equation written in distinct linear factors is diagonalizable) means this implies  aσ  is diagonalizable with possible eigenvalues  ±|a|. The tracelessness of  aσ  means it has exactly one of each eigenvalue.

Its normalized eigenvectors are ψ+=12|a|(a3+|a|)[a3+|a|a1+ia2] ;ψ=12|a|(a3+|a|)[ia2a1a3+|a|]. These expressions become singular for  a3| a |. They can be rescued by letting a=| a |(ϵ, 0, (1ϵ22))  and taking the limit  ϵ0 , which yields the correct eigenvectors (0,1) Script error: No such module "Check for unknown parameters". and (1,0) Script error: No such module "Check for unknown parameters". of  σz.

Alternatively, one may use spherical coordinates  a=a ( sinϑ cosφ, sinϑ sinφ, cosϑ )  to obtain the eigenvectors  ψ+=( cosϑ2,sinϑ2 e+iφ )  and  ψ=( sinϑ2 eiφ,cosϑ2 ).

Pauli 4-vector

The Pauli 4-vector, used in spinor theory, is written  σμ  with components

 σμ=( I, σ ).

This defines a map from  1,3  to the vector space of Hermitian matrices,

 xμxμσμ ,

which also encodes the Minkowski metric (with mostly minus convention) in its determinant:

 det( xμσμ )=η(x,x).

This 4-vector also has a completeness relation. It is convenient to define a second Pauli 4-vector

 σ¯μ=( I,σ ).

and allow raising and lowering using the Minkowski metric tensor. The relation can then be written  xν=12tr( σ¯ν(xμσμ) ).

Similarly to the Pauli 3-vector case, we can find a matrix group that acts as isometries on  1,3 ; in this case the matrix group is  SL(2,) , and this shows  SL(2,)  Spin(1,3). Similarly to above, this can be explicitly realized for  SSL(2,)  with components

 Λ(S)μν=12tr( σ¯ν S σμ S ).

In fact, the determinant property follows abstractly from trace properties of the  σμ. For  2×2  matrices, the following identity holds:

 det( A+B ) = det(A) + det(B) + tr(A) tr(B)  tr( A B ).

That is, the 'cross-terms' can be written as traces. When  A,B  are chosen to be different  σμ , the cross-terms vanish. It then follows, now showing summation explicitly, det(μxμσμ)=μdet(xμσμ). Since the matrices are  2×2 , this is equal to  μxμ2det(σμ)=η(x,x).

Relation to dot and cross product

Pauli vectors elegantly map these commutation and anticommutation relations to corresponding vector products. Adding the commutator to the anticommutator gives

[σj,σk]+{σj,σk}=(σjσkσkσj)+(σjσk+σkσj)2iεjkσ+2δjkI=2σjσk

so that, Template:Equation box 1

Contracting each side of the equation with components of two 3Script error: No such module "Check for unknown parameters".-vectors apScript error: No such module "Check for unknown parameters". and bqScript error: No such module "Check for unknown parameters". (which commute with the Pauli matrices, i.e., apσq = σqap)Script error: No such module "Check for unknown parameters". for each matrix σqScript error: No such module "Check for unknown parameters". and vector component apScript error: No such module "Check for unknown parameters". (and likewise with bqScript error: No such module "Check for unknown parameters".) yields

ajbkσjσk=ajbk(iεjkσ+δjkI)ajσjbkσk=iεjkajbkσ+ajbkδjkI.

Finally, translating the index notation for the dot product and cross product results in Template:NumBlk

If Template:Mvar is identified with the pseudoscalar σx σy σzScript error: No such module "Check for unknown parameters". then the right hand side becomes  ab+ab , which is also the definition for the product of two vectors in geometric algebra.

If we define the spin operator as J = Template:SfracσScript error: No such module "Check for unknown parameters". , then JScript error: No such module "Check for unknown parameters". satisfies the commutation relation: 𝐉×𝐉=i 𝐉  Or equivalently, the Pauli vector satisfies: σ2×σ2=i σ2.

Some trace relations

The following traces can be derived using the commutation and anticommutation relations.

tr(σj)=0tr(σjσk)=2δjktr(σjσkσ)=2iεjktr(σjσkσσm)=2(δjkδmδjδkm+δjmδk).

If the matrix σ0=𝕀 is also considered, these relationships become

tr(σα)=2δ0αtr(σασβ)=2δαβtr(σασβσγ)=2(αβγ)δαβδ0γ4δ0αδ0βδ0γ+2iε0αβγtr(σασβσγσμ)=2(δαβδγμδαγδβμ+δαμδβγ)+4(δαγδ0βδ0μ+δβμδ0αδ0γ)8δ0αδ0βδ0γδ0μ+2i(αβγμ)ε0αβγδ0μ.

where Greek indices α,β,γ and μ assume values from {0,x,y,z} and the notation (α) is used to denote the sum over the cyclic permutation of the included indices.

Exponential of a Pauli vector

For

a=a n^,| n^ |=1 ,

one has, for even powers, 2 p, p = 0, 1, 2, 3, ...Script error: No such module "Check for unknown parameters".

 (n^σ)2p=I ,

which can be shown first for the p = 1Script error: No such module "Check for unknown parameters". case using the anticommutation relations. For convenience, the case p = 0 Script error: No such module "Check for unknown parameters". is taken to be Template:Mvar by convention.

For odd powers, 2 q + 1, q = 0, 1, 2, 3, ...Script error: No such module "Check for unknown parameters".

 (n^σ)2q+1=n^σ.

Matrix exponentiating, and using the Taylor series for sine and cosine,

eia(n^σ)=k=0ik[a(n^σ)]kk!=p=0(1)p(an^σ)2p(2p)!+iq=0(1)q(an^σ)2q+1(2q+1)!=Ip=0(1)pa2p(2p)!+i(n^σ)q=0(1)qa2q+1(2q+1)!.

In the last line, the first sum is the cosine, while the second sum is the sine; so, finally, Template:NumBlk

which is analogous to Euler's formula, extended to quaternions. In particular,

ei a σ1=(cosai sinai sinacosa) ,ei a σ2=(cosasinasinacosa) ,ei a σ3=(ei a00ei a).

Note that

det[ i a (n^σ) ]=a2 ,

while the determinant of the exponential itself is just 1Script error: No such module "Check for unknown parameters"., which makes it the generic group element of SU(2).

A more abstract version of formula (2) for a general 2 × 2Script error: No such module "Check for unknown parameters". matrix can be found in the article on matrix exponentials. A general version of (2) for an analytic (at Template:Mvar and Template:Mvar) function is provided by application of Sylvester's formula,[3]

 f( a(n^σ) ) = I  f(+a)+f(a) 2 + n^σ  f(+a)f(a) 2.

The group composition law of SU(2)Script error: No such module "Check for unknown parameters".

A straightforward application of formula (2) provides a parameterization of the composition law of the group SU(2)Script error: No such module "Check for unknown parameters"..Template:Efn One may directly solve for Template:Mvar in ei a(n^σ) ei b (m^σ)=I ( cosa cosb  n^m^ sina sinb ) + i ( n^ sina cosb + m^ sinb cosa  n^×m^sina sinb )σ=I cosc + i (k^σ) sinc=ei c (k^σ) ,

which specifies the generic group multiplication, where, manifestly,  cosc=cosa cosb  n^m^ sina sinb , the spherical law of cosines. Given Template:Mvar, then,  k^ = 1sinc ( n^ sina cosb + m^ sinb cosan^×m^ sina sinb ).

Consequently, the composite rotation parameters in this group element (a closed form of the respective BCH expansion in this case) simply amount to[4]

 eick^σ=exp(icsinc(n^sinacosb+m^sinbcosan^×m^sinasinb)σ).

(Of course, when  n^  is parallel to  m^ , so are  k^  and c = a + bScript error: No such module "Check for unknown parameters". .) Script error: No such module "Labelled list hatnote".

Adjoint action

It is also straightforward to likewise work out the adjoint action on the Pauli vector, namely rotation of any angle a along any axis n^: Rn(a)σRn(a)=eia2(n^σ)σeia2(n^σ)=σcos(a)+n^×σsin(a)+n^n^σ(1cos(a)).

Taking the dot product of any unit vector with the above formula generates the expression of any single qubit operator under any rotation. For example, it can be shown that  Ry(π2)σxRy(π2)=x^(y^×σ)=σz.

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Completeness relation

An alternative notation that is commonly used for the Pauli matrices is to write the vector index Template:Mvar in the superscript, and the matrix indices as subscripts, so that the element in row Template:Mvar and column Template:Mvar of the Template:Mvar-th Pauli matrix is σ k αβScript error: No such module "Check for unknown parameters". .

In this notation, the completeness relation for the Pauli matrices can be written

σαβσγδk=13σαβk σγδk=2 δαδ δβγδαβ δγδ.

Template:Math proof

As noted above, it is common to denote the 2 × 2 unit matrix by σ0Script error: No such module "Check for unknown parameters". , so σ0αβ = δαβ .Script error: No such module "Check for unknown parameters". The completeness relation can alternatively be expressed as  k=03σαβk σγδk=2 δαδ δβγ.

The fact that any Hermitian complex 2 × 2 matrices can be expressed in terms of the identity matrix and the Pauli matrices also leads to the Bloch sphere representation of 2 × 2 mixed states’ density matrix, (positive semidefinite 2 × 2 matrices with unit trace. This can be seen by first expressing an arbitrary Hermitian matrix as a real linear combination of {σ0, σ1, σ2, σ3}Script error: No such module "Check for unknown parameters". as above, and then imposing the positive-semidefinite and trace 1Script error: No such module "Check for unknown parameters". conditions.

For a pure state, in polar coordinates, a=(sinθcosϕsinθsinϕcosθ), the idempotent density matrix 12(𝟏+aσ)=(cos2(θ2)eiϕsin(θ2)cos(θ2)e+iϕsin(θ2)cos(θ2)sin2(θ2))

acts on the state eigenvector  (cos( θ 2)e+iϕ sin( θ 2))  with eigenvalue +1, hence it acts like a projection operator.

Relation with the permutation operator

Let PjkScript error: No such module "Check for unknown parameters". be the transposition (also known as a permutation) between two spins σjScript error: No such module "Check for unknown parameters". and σkScript error: No such module "Check for unknown parameters". living in the tensor product space Template:Tmath ,

Pjk|σjσk=|σkσj.

This operator can also be written more explicitly as Dirac's spin exchange operator,

 Pjk=12 (σjσk+1).

Its eigenvalues are thereforeTemplate:Efn 1 or −1. It may thus be utilized as an interaction term in a Hamiltonian, splitting the energy eigenvalues of its symmetric versus antisymmetric eigenstates.

SU(2)

The group SU(2) is the Lie group of unitary 2 × 2Script error: No such module "Check for unknown parameters". matrices with unit determinant; its Lie algebra is the set of all 2 × 2Script error: No such module "Check for unknown parameters". anti-Hermitian matrices with trace 0. Direct calculation, as above, shows that the Lie algebra 𝔰𝔲2 is the three-dimensional real algebra spanned by the set {k}Script error: No such module "Check for unknown parameters".. In compact notation,

𝔰𝔲(2)=span{iσ1,iσ2,iσ3}.

As a result, each jScript error: No such module "Check for unknown parameters". can be seen as an infinitesimal generator of SU(2). The elements of SU(2) are exponentials of linear combinations of these three generators, and multiply as indicated above in discussing the Pauli vector. Although this suffices to generate SU(2), it is not a proper representation of su(2)Script error: No such module "Check for unknown parameters"., as the Pauli eigenvalues are scaled unconventionally. The conventional normalization is λ = Template:Sfrac Script error: No such module "Check for unknown parameters". , so that

 𝔰𝔲(2)=span{ i σ1 2, i σ2 2, i σ3 2}.

As SU(2) is a compact group, its Cartan decomposition is trivial.

SO(3)

The Lie algebra  𝔰𝔲(2)  is isomorphic to the Lie algebra 𝔰𝔬(3), which corresponds to the Lie group SO(3), the group of rotations in three-dimensional space. In other words, one can say that the Template:Mvar are a realization (and, in fact, the lowest-dimensional realization) of infinitesimal rotations in three-dimensional space. However, even though  𝔰𝔲(2)  and 𝔰𝔬(3) are isomorphic as Lie algebras, SU(2)Script error: No such module "Check for unknown parameters". and SO(3)Script error: No such module "Check for unknown parameters". are not isomorphic as Lie groups. SU(2)Script error: No such module "Check for unknown parameters". is actually a double cover of SO(3)Script error: No such module "Check for unknown parameters"., meaning that there is a two-to-one group homomorphism from SU(2)Script error: No such module "Check for unknown parameters".SO(3)Script error: No such module "Check for unknown parameters". , see relationship between SO(3) and SU(2).

Quaternions

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The real linear span of {I, 1, i σ2, i σ3}Script error: No such module "Check for unknown parameters". is isomorphic to the real algebra of quaternions, , represented by the span of the basis vectors  {𝟏, 𝐢, 𝐣, 𝐤}. The isomorphism from    to this set is given by the following map (notice the reversed signs for the Pauli matrices): 𝟏I,𝐢σ2σ3=iσ1,𝐣σ3σ1=iσ2,𝐤σ1σ2=iσ3.

Alternatively, the isomorphism can be achieved by a map using the Pauli matrices in reversed order,[5]

𝟏I,𝐢iσ3,𝐣iσ2,𝐤iσ1.

As the set of versors U forms a group isomorphic to SU(2)Script error: No such module "Check for unknown parameters"., Template:Mvar gives yet another way of describing SU(2)Script error: No such module "Check for unknown parameters".. The two-to-one homomorphism from SU(2)Script error: No such module "Check for unknown parameters". to SO(3)Script error: No such module "Check for unknown parameters". may be given in terms of the Pauli matrices in this formulation.

Physics

Classical mechanics

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In classical mechanics, Pauli matrices are useful in the context of the Cayley–Klein parameters.[6] The matrix P corresponding to the position x of a point in space is defined in terms of the above Pauli vector matrix,

P=xσ=xσx+yσy+zσz.

Consequently, the transformation matrix Qθ for rotations about the x-axis through an angle θ may be written in terms of Pauli matrices and the unit matrix as[6]

 Qθ=𝕀cosθ2+i σxsinθ2.

Similar expressions follow for general Pauli vector rotations as detailed above.

Quantum mechanics

In quantum mechanics, each Pauli matrix is related to an angular momentum operator that corresponds to an observable describing the spin of a [[spin-1/2|spin Template:1/2]] particle, in each of the three spatial directions. As an immediate consequence of the Cartan decomposition mentioned above, iσj are the generators of a projective representation (spin representation) of the rotation group SO(3) acting on non-relativistic particles with spin Template:1/2. The states of the particles are represented as two-component spinors. In the same way, the Pauli matrices are related to the isospin operator.

An interesting property of spin Template:1/2 particles is that they must be rotated by an angle of 4π in order to return to their original configuration. This is due to the two-to-one correspondence between SU(2) and SO(3) mentioned above, and the fact that, although one visualizes spin up/down as the north–south pole on the 2-sphere S2 they are actually represented by orthogonal vectors in the two-dimensional complex Hilbert space.

For a spin Template:1/2 particle, the spin operator is given by J=2σ, the fundamental representation of SU(2). By taking Kronecker products of this representation with itself repeatedly, one may construct all higher irreducible representations. That is, the resulting spin operators for higher spin systems in three spatial dimensions, for arbitrarily large j, can be calculated using this spin operator and ladder operators. They can be found in Template:Section link. The analog formula to the above generalization of Euler's formula for Pauli matrices, the group element in terms of spin matrices, is tractable, but less simple.[7]

Also useful in the quantum mechanics of multiparticle systems, the general Pauli group Gn is defined to consist of all n-fold tensor products of Pauli matrices.

Relativistic quantum mechanics

In relativistic quantum mechanics, the spinors in four dimensions are 4 × 1Script error: No such module "Check for unknown parameters". (or 1 × 4Script error: No such module "Check for unknown parameters".) matrices. Hence the Pauli matrices or the Sigma matrices operating on these spinors have to be 4 × 4Script error: No such module "Check for unknown parameters". matrices. They are defined in terms of 2 × 2 Script error: No such module "Check for unknown parameters". Pauli matrices as

Σk=(σk00σk).

It follows from this definition that the  Σk  matrices have the same algebraic properties as the Template:Mvar matrices.

However, relativistic angular momentum is not a three-vector, but a second order four-tensor. Hence  Σk  needs to be replaced by ΣμνScript error: No such module "Check for unknown parameters"., the generator of Lorentz transformations on spinors. By the antisymmetry of angular momentum, the ΣμνScript error: No such module "Check for unknown parameters". are also antisymmetric. Hence there are only six independent matrices.

The first three are the  ΣkϵjkΣj. The remaining three,  i Σ0kαk , where the Dirac αkScript error: No such module "Check for unknown parameters". matrices are defined as

 αk=(0σkσk0).

The relativistic spin matrices ΣμνScript error: No such module "Check for unknown parameters". are written in compact form in terms of commutator of gamma matrices as

 Σμν=i2[γμ,γν].

Quantum information

In quantum information, single-qubit quantum gates are 2 × 2 unitary matrices. The Pauli matrices are some of the most important single-qubit operations. In that context, the Cartan decomposition given above is called the "Z–Y decomposition of a single-qubit gate". Choosing a different Cartan pair gives a similar "X–Y decomposition of a single-qubit gate ".

See also

Remarks

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Notes

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References

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