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Wick's theorem

Bruno Juliá Díaz, Arnau Rios Huguet, Héctor Briongos Merino, Javier Rozalén Sarmiento, Artur Polls Martí

Published Sep 17, 2025• 0 citations

Abstract

In the context of many-body quantum mechanics, one often encounters the need to evaluate expectation values of operators or their matrix elements. For instance, given a Hamiltonian https://www.w3.org/1998/Math/MathML" display="inline"> H ^ , we typically want to evaluate its expectation value, which is the energy of the system, https://www.w3.org/1998/Math/MathML" display="inline"> E = ⟨ H ^ ⟩ . In second quantization, the matrix element of an operator can always be expressed as a vacuum expectation value. This generally yields an expression which is hard to evaluate. Fortunately, a powerful tool to simplify these calculations exists: Wick's theorem. This theorem provides a systematic way to break down expressions involving products of creation and annihilation operators into sums of simpler terms.

DOI: 10.1201/9781003191339-3

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Wick's theorem for the expectation value of an operator between many-particle states is generalized to the case of a homogeneous linear transformation operator $\^O$, which leaves invariant the $2N$-dimensional linear space composed of the annihilation and the creation operators for the N fermion or boson single-particle basis. Such a transformation generally belongs to the group $\mathrm{SO}(2N,C)$ for the case of fermion, or the group $\mathrm{Sp}(2N,C)$ for the case of boson. This theorem is applied to derive a reduction theorem for the matrix element of the type $〈\ensuremath{\alpha}|{\ensuremath{\alpha}}_{1}{\ensuremath{\alpha}}_{2}\ensuremath{\cdot}\ensuremath{\cdot}\ensuremath{\cdot}{\ensuremath{\alpha}}_{m}\^O{\ensuremath{\beta}}_{m+1}^{\ifmmode\dagger\else\textdagger\fi{}}{\ensuremath{\beta}}_{m+2}^{\ifmmode\dagger\else\textdagger\fi{}}\ensuremath{\cdot}\ensuremath{\cdot}\ensuremath{\cdot}{\ensuremath{\beta}}_{2n}^{\ifmmode\dagger\else\textdagger\fi{}}|\ensuremath{\beta}〉,$ whose many-quasiparticle states and vacua appearing in both sides are represented in different quasiparticle pictures as indicated by $\ensuremath{\alpha}$ and $\ensuremath{\beta}.$ The reduction formula is useful in calculating any nuclear transition matrix element for the quantum-number projection calculation associated with the constrained Hartree-Fock-Bogoliubov solutions, and also the generator coordinate method with quantum number projection.

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In the context of many-body quantum mechanics, one often encounters the need to evaluate expectation values of operators or their matrix elements. For instance, given a Hamiltonian https://www.w3.org/1998/Math/MathML" display="inline"> H ^ , we typically want to evaluate its expectation value, which is the energy of the system, https://www.w3.org/1998/Math/MathML" display="inline"> E = ⟨ H ^ ⟩ . In second quantization, the matrix element of an operator can always be expressed as a vacuum expectation value. This generally yields an expression which is hard to evaluate. Fortunately, a powerful tool to simplify these calculations exists: Wick's theorem. This theorem provides a systematic way to break down expressions involving products of creation and annihilation operators into sums of simpler terms.

Wick's theorem for the expectation value of an operator between many-particle states is generalized to the case of a homogeneous linear transformation operator

\^O

, which leaves invariant the

2N

-dimensional linear space composed of the annihilation and the creation operators for the N fermion or boson single-particle basis. Such a transformation generally belongs to the group

\mathrm{SO}(2N,C)

for the case of fermion, or the group

\mathrm{Sp}(2N,C)

for the case of boson. This theorem is applied to derive a reduction theorem for the matrix element of the type $〈\ensuremath{\alpha}|{\ensuremath{\alpha}}_{1}{\ensuremath{\alpha}}_{2}\ensuremath{\cdot}\ensuremath{\cdot}\ensuremath{\cdot}{\ensuremath{\alpha}}_{m}\^O{\ensuremath{\beta}}_{m+1}^{\ifmmode\dagger\else\textdagger\fi{}}{\ensuremath{\beta}}_{m+2}^{\ifmmode\dagger\else\textdagger\fi{}}\ensuremath{\cdot}\ensuremath{\cdot}\ensuremath{\cdot}{\ensuremath{\beta}}_{2n}^{\ifmmode\dagger\else\textdagger\fi{}}|\ensuremath{\beta}〉,$ whose many-quasiparticle states and vacua appearing in both sides are represented in different quasiparticle pictures as indicated by $\ensuremath{\alpha}$ and $\ensuremath{\beta}.$ The reduction formula is useful in calculating any nuclear transition matrix element for the quantum-number projection calculation associated with the constrained Hartree-Fock-Bogoliubov solutions, and also the generator coordinate method with quantum number projection.

The matrix element of a general many-body operator between two Slater determinants is calculated explicitly. For this, a split-and-pair method is introduced that provides a convenient expression of Wick's theorem and simplifies many-body calculations. The same method is used to determine the generating function of the matrix elements of many-body operators. The split-and-pair method allows also for the diagonalization of the density correlation operators $:n({x}_{1})\ensuremath{\cdots}n({x}_{k}):$, where $n(x)={\ensuremath{\psi}}^{\ifmmode\dagger\else\textdagger\fi{}}(x)\ensuremath{\psi}(x)$ is the density operator. The relation between the split-and-pair method and quantum group theory is clarified.

There is more information in a quantum state than in the classical initial values https://www.w3.org/1998/Math/MathML" display="inline"> ( x 0 , p 0 ) that determine the complete 1-dimensional motion of a point particle for a given force. The initial wave function https://www.w3.org/1998/Math/MathML" display="inline"> Ψ ( x , 0 ) requires an infinite number of parameters, which can be expressed in observational terms as the two basic expectation values https://www.w3.org/1998/Math/MathML" display="inline"> ⟨ x ^ ⟩ and https://www.w3.org/1998/Math/MathML" display="inline"> ⟨ p ^ ⟩ together with the two variances https://www.w3.org/1998/Math/MathML" display="inline"> ( σ x 2 , σ p 2 ) and the covariance 5.1 https://www.w3.org/1998/Math/MathML" display="block"> C x p = 1 2 ⟨ x ^ p ^ + p ^ x ^ ⟩ − ⟨ x ^ ⟩ ⟨ p ^ ⟩ ,