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arXiv:0707.3365 · Physical Review C

Generalized Wick's theorem for multiquasiparticle overlaps as a limit of Gaudin's theorem

S. Pérez-Martín, Luis Miguel Robledo

Published Dec 17, 2007• 28 citations
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Abstract

By using the extension of the statistical Wick's theorem (Gaudin's theorem) to deal with generalized statistical density operators (those which can be expressed as the product of and operator carrying out a canonical transformations times a density operator) and using the appropriate limits we are able to rederive in a very simple way the standard generalized Wick's theorem for overlaps of mean-field wave functions. Due to the simplicity of the derivation it is now straightforward to consider more involved cases and some of them are discussed. The present derivation also allows us to obtain general and compact formulas for other particular cases of the generalized Wick theorem involving overlaps of multiquasiparticle excitations of product wave functions. The new expressions allow us to reduce the combinatorial complexity of the standard calculation of the above overlaps.

DOI
10.1103/physrevc.76.064314

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By using the extension of the statistical Wick's theorem (Gaudin's theorem) to deal with generalized statistical density operators (those which can be expressed as the product of and operator carrying out a canonical transformations times a density operator) and using the appropriate limits we are able to rederive in a very simple way the standard generalized Wick's theorem for overlaps of mean-field wave functions. Due to the simplicity of the derivation it is now straightforward to consider more involved cases and some of them are discussed. The present derivation also allows us to obtain general and compact formulas for other particular cases of the generalized Wick theorem involving overlaps of multiquasiparticle excitations of product wave functions. The new expressions allow us to reduce the combinatorial complexity of the standard calculation of the above overlaps.
Wick's theorem for the expectation values of products of field operators for a system of noninteracting fermions or bosons plays an important role in the perturbative approach to the quantum many-body problem. A finite-temperature version holds in the framework of the grand canonical ensemble, but not for the canonical ensemble appropriate for systems with fixed particle number such as ultracold quantum gases in optical lattices. Here we present formulas for expectation values of products of field operators in the canonical ensemble using a method in the spirit of Gaudin's proof of Wick's theorem for the grand canonical case. The deviations from Wick's theorem are examined quantitatively for two simple models of noninteracting fermions.
Wick's theorem provides a connection between time ordered products of bosonic or fermionic fields, and their normal ordered counterparts. We consider a generic pair of operator orderings and we prove, by induction, the theorem that relates them. We name this the general Wick's theorem (GWT) because it carries Wick's theorem as special instance, when one applies the GWT to time and normal orderings. We establish the GWT both for bosonic and fermionic operators, i.e., operators that satisfy c-number commutation and anticommutation relations respectively. We remarkably show that the GWT is the same, independent of the type of operator involved. By means of a few examples, we show how the GWT helps treat demanding problems by reducing the amount of calculations required.
Abstract Wick’s theorem, known for yielding normal ordered from time-ordered bosonic fields, may be generalized for a simple relationship between any two orderings that we define over canonical variables, in a broader sense than before. In this broad class of orderings, the general Wick theorem follows from the Baker–Campbell–Hausdorff identity. We point out that, generally, the characteristic function does not induce an unambigous scheme to order the multiple products of the canonical operators although the value of the ordered product is unique. We construct a manifold of different schemes for each value of s of s -orderings of Cahill and Glauber.
Matrix elements between nonorthogonal Slater determinants represent an essential component of many emerging electronic structure methods. However, evaluating nonorthogonal matrix elements is conceptually and computationally harder than their orthogonal counterparts. While several different approaches have been developed, these are predominantly derived from the first-quantized generalized Slater-Condon rules and usually require biorthogonal occupied orbitals to be computed for each matrix element. For coupling terms between nonorthogonal excited configurations, a second-quantized approach such as the nonorthogonal Wick's theorem is more desirable, but this fails when the two reference determinants have a zero many-body overlap. In this contribution, we derive an entirely generalized extension to the nonorthogonal Wick's theorem that is applicable to all pairs of determinants with nonorthogonal orbitals. Our approach creates a universal methodology for evaluating any nonorthogonal matrix element and allows Wick's theorem and the generalized Slater-Condon rules to be unified for the first time. Furthermore, we present a simple well-defined protocol for deriving arbitrary coupling terms between nonorthogonal excited configurations. In the case of overlap and one-body operators, this protocol recovers efficient formulas with reduced scaling, promising significant computational acceleration for methods that rely on such terms.
Abstract In Ref. Gaudin (Nuclear Physics 15 , 89 1960), Gaudin established a generalized version of Wick’s theorem at finite temperature for systems described by a diagonal quadratic Hamiltonian. In this work, we extend Gaudin’s proof to statistical density operators generated by a general quadratic Hamiltonian, prior to diagonalization, as commonly encountered in interacting Bose systems. We show explicitly that the resulting thermal contractions depend on the Bogoliubov transformation parameters and on the quasiparticle spectrum, providing a transparent framework for evaluating thermal averages of arbitrary operator products. As an illustration of the usefulness of this generalized formulation, we evaluate particle-number fluctuations in a homogeneous, weakly interacting Bose gas below the Bose–Einstein condensation temperature. We show that particle-number fluctuations are generically non-Poissonian as a consequence of interaction-induced correlations and quantum depletion, with the Poissonian limit recovered only for an ideal Bose gas at zero temperature. Our results clarify the role of quadratic Hamiltonians and Bogoliubov quasiparticles in shaping fluctuation statistics and highlight the generalized Wick’s theorem as a controlled tool for computing correlation functions in interacting quantum gases.