Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Log inSign up
Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Blog
Job Board
Q3AS

© 2026 Aqora Quantum S.A.S.

TermsPrivacyLegal Notice

arXiv:1009.0985 · Physical Review C

Description of pairing correlation in many-body finite systems with density functional theory

Guillaume Hupin, Denis Lacroix A

Published Feb 28, 2011• 20 citations
arXivHTMLPDF

Abstract

Different steps leading to the new functional for pairing based on natural orbitals and occupancies proposed earlier [D. Lacroix and G. Hupin, Phys. Rev. B 82, 144509 (2010)] are carefully analyzed. Properties of quasiparticle states projected onto good particle numbers are first reviewed. These properties are used to (i) prove the existence of such a functional, (ii) provide an explicit functional through a $1/N$ expansion starting from the BCS approach, and (iii) give a compact form of the functional summing up all orders in the expansion. The functional is benchmarked in the case of the picket-fence pairing Hamiltonian where even and odd systems are studied, using the blocking technique, at various particle numbers and coupling strengths, with uniform and random single-particle level spacing. In all cases, very good agreement is found, with a deviation of $<$1% compared to the exact energy.

DOI
10.1103/physrevc.83.024317

Related papers

DENSITY FUNCTIONAL FOR PAIRING WITH PARTICLE NUMBER CONSERVATION

Denis Lacroix A, Guillaume Hupin

In this work, a new functional is introduced to treat pairing correlations in finite many-body systems. Guided by the projected BCS framework, the energy is written as a functional of occupation numbers. It is shown to generalize the BCS approach and to provide an alternative to Variation After Projection framework. Illustrations of the new approach are given for the pairing Hamiltonian for various particle numbers and coupling strengths. In all case, a very good agreement with the exact solution is found.

arXiv:1005.0300•Modern Physics Letters A•Jul 19, 2010•0 citations

Projected quasiparticle perturbation theory

Denis Lacroix A, D. Gambacurta

The BCS and/or Hartree-Fock-Bogoliubov theories are extended by treating the effect of four quasiparticle states perturbatively. The approach is tested on the pairing Hamiltonian, showing that it combines the advantage of standard perturbation theory, valid at low pairing strength, and of nonperturbative approaches breaking the particle number, valid at higher pairing strength. Including the restoration of particle number further improves the description of pairing correlation. In the presented test, the agreement between the exact solution and the combined perturbative plus projection is almost perfect. The proposed method scales friendly when the number of particles increases and provides a simple alternative to other more complicated approaches.

arXiv:1205.5379•Physical Review C•Jul 3, 2012•21 citations

Extended BCS Theories

Roger Balian, H. Flocard, M. Vénéroni

Extensions of the Hartree-Fock-Bogoliubov theory are worked out which are tailored for, (i) the consistent evaluation of fluctuations and correlations and (ii) the restoration through projection of broken symmetries. For both purposes we rely on a single variational principle which optimizes the characteristic function. The Bloch equation is used as a constraint to define the equilibrium state, and the trial quantities are a density operator and a Lagrangian multiplier matrix which is akin to an observable. The conditions of stationarity are respectively a Schrödinger-like equation and a Heisenberg-- like equation with an imaginary time running backwards. General conditions for the trial spaces are stated that warrant the preservation of thermodynamic relations. When the trial spaces are chosen to be of the independent-quasi-particle type, the ensuing coupled equations provide an extension of the Hartree-Fock-Bogoliubov approximation, which optimizes the characteristic function. Variational expressions for thermodynamic quantities or characteristic functions are also obtained with projected trial states, whether an invariance symmetry is broken or not. In particular, the projection on even or odd particle number is worked out for a pairing Hamiltonian, which leads to new equations replacing the BCS ones. Qualitative differences between even and odd systems, depending on the temperature $T$, the level density and the strength of the pairing force, are investigated analytically and numerically.

arXiv:nucl-th/9706041•Jun 17, 1997•0 citations

Variational theory combining number-projected BCS and coupled-cluster doubles

V. Baran, J. Dukelsky

The ground-state pairing correlations in finite fermionic systems are described with a high degree of accuracy within a variational approach based on a combined coupled-cluster and particle-number-projected BCS ansatz. The flexibility of this symmetry-preserving wave function enables a unified picture valid from weak to strong coupling, both in small and large systems. The present variational approach consistently yields an energy upper bound while operating at the same level of precision as the nonvariational particle-number-projected Bogoliubov-coupled-cluster theory [Phys. Rev. C 99, 044301 (2019)].

arXiv:2102.08233•Physical Review C•May 24, 2021•10 citations

Quantum simulations of Green's functions for small superfluid systems

Samuel Aychet-Claisse, Denis Lacroix A, V. Somà +1 more

An end-to-end strategy for hybrid quantum-classical computations of Green's functions in many-body systems is presented and applied to the pairing model. The scheme makes explicit use of the spectral representation of the Green's function, which entails the calculation of the $N$-body ground state as well as eigenstates and associated energies of the $(N\pm1)$-body neighbors. While the former is accessed via variational techniques, the latter are constructed by means of the quantum subspace expansion method. Different ansatzes for the ground-state wave function, originating from either classical or quantum approaches, are tested and compared to exact calculations. The resulting one-body Green's functions prove to be accurate approximations of the exact one for a large range of parameters, including across the normal-to-superfluid transition. As a byproduct, this approach yields a good description of odd systems provided that the starting even system is well reproduced by the variational ansatz.

arXiv:2509.02272•Physical Review C•Apr 1, 2026•2 citations

Treatment of like-particle pairing with quartets

Michelangelo Sambataro, Nicolae Sandulescu

The ground state correlations induced by a general pairing Hamiltonian in a finite system of like fermions are described in terms of four-body correlated structures (quartets). These are real superpositions of products of two pairs of particles in time-reversed states. Quartets are determined variationally through an iterative sequence of diagonalizations of the Hamiltonian in restricted model spaces and are, in principle, all distinct from one another. The ground state is represented as a product of quartets to which, depending on the number of particles (supposed to be even, in any case), an extra collective pair is added. The extra pair is also determined variationally. In case of pairing in a spherically symmetric mean field, both the quartets and the extra pair (if any) are characterized by a total angular momentum J=0. Realistic applications of the quartet formalism are carried out for the Sn isotopes with the valence neutrons in the 50-82 neutron shell. Exact ground state correlation energies, occupation numbers and pair transfer matrix elements are reproduced to a very high degree of precision. The formalism also lends itself to a straightforward and accurate description of the lowest seniority 0 and 2 excited states of the pairing Hamiltonian. A simplified representation of the ground state as a product of identical quartets is eventually discussed and found to improve considerably upon the more traditional particle-number projected-BCS approach.

•Aug 16, 2016•15 citations
Different steps leading to the new functional for pairing based on natural orbitals and occupancies proposed earlier [D. Lacroix and G. Hupin, Phys. Rev. B 82, 144509 (2010)] are carefully analyzed. Properties of quasiparticle states projected onto good particle numbers are first reviewed. These properties are used to (i) prove the existence of such a functional, (ii) provide an explicit functional through a 1/N1/N1/N expansion starting from the BCS approach, and (iii) give a compact form of the functional summing up all orders in the expansion. The functional is benchmarked in the case of the picket-fence pairing Hamiltonian where even and odd systems are studied, using the blocking technique, at various particle numbers and coupling strengths, with uniform and random single-particle level spacing. In all cases, very good agreement is found, with a deviation of <<<1% compared to the exact energy.
In this work, a new functional is introduced to treat pairing correlations in finite many-body systems. Guided by the projected BCS framework, the energy is written as a functional of occupation numbers. It is shown to generalize the BCS approach and to provide an alternative to Variation After Projection framework. Illustrations of the new approach are given for the pairing Hamiltonian for various particle numbers and coupling strengths. In all case, a very good agreement with the exact solution is found.
The BCS and/or Hartree-Fock-Bogoliubov theories are extended by treating the effect of four quasiparticle states perturbatively. The approach is tested on the pairing Hamiltonian, showing that it combines the advantage of standard perturbation theory, valid at low pairing strength, and of nonperturbative approaches breaking the particle number, valid at higher pairing strength. Including the restoration of particle number further improves the description of pairing correlation. In the presented test, the agreement between the exact solution and the combined perturbative plus projection is almost perfect. The proposed method scales friendly when the number of particles increases and provides a simple alternative to other more complicated approaches.
Extensions of the Hartree-Fock-Bogoliubov theory are worked out which are tailored for, (i) the consistent evaluation of fluctuations and correlations and (ii) the restoration through projection of broken symmetries. For both purposes we rely on a single variational principle which optimizes the characteristic function. The Bloch equation is used as a constraint to define the equilibrium state, and the trial quantities are a density operator and a Lagrangian multiplier matrix which is akin to an observable. The conditions of stationarity are respectively a Schrödinger-like equation and a Heisenberg-- like equation with an imaginary time running backwards. General conditions for the trial spaces are stated that warrant the preservation of thermodynamic relations. When the trial spaces are chosen to be of the independent-quasi-particle type, the ensuing coupled equations provide an extension of the Hartree-Fock-Bogoliubov approximation, which optimizes the characteristic function. Variational expressions for thermodynamic quantities or characteristic functions are also obtained with projected trial states, whether an invariance symmetry is broken or not. In particular, the projection on even or odd particle number is worked out for a pairing Hamiltonian, which leads to new equations replacing the BCS ones. Qualitative differences between even and odd systems, depending on the temperature TTT, the level density and the strength of the pairing force, are investigated analytically and numerically.
The ground-state pairing correlations in finite fermionic systems are described with a high degree of accuracy within a variational approach based on a combined coupled-cluster and particle-number-projected BCS ansatz. The flexibility of this symmetry-preserving wave function enables a unified picture valid from weak to strong coupling, both in small and large systems. The present variational approach consistently yields an energy upper bound while operating at the same level of precision as the nonvariational particle-number-projected Bogoliubov-coupled-cluster theory [Phys. Rev. C 99, 044301 (2019)].
An end-to-end strategy for hybrid quantum-classical computations of Green's functions in many-body systems is presented and applied to the pairing model. The scheme makes explicit use of the spectral representation of the Green's function, which entails the calculation of the NNN-body ground state as well as eigenstates and associated energies of the (N±1)(N\pm1)(N±1)-body neighbors. While the former is accessed via variational techniques, the latter are constructed by means of the quantum subspace expansion method. Different ansatzes for the ground-state wave function, originating from either classical or quantum approaches, are tested and compared to exact calculations. The resulting one-body Green's functions prove to be accurate approximations of the exact one for a large range of parameters, including across the normal-to-superfluid transition. As a byproduct, this approach yields a good description of odd systems provided that the starting even system is well reproduced by the variational ansatz.
The ground state correlations induced by a general pairing Hamiltonian in a finite system of like fermions are described in terms of four-body correlated structures (quartets). These are real superpositions of products of two pairs of particles in time-reversed states. Quartets are determined variationally through an iterative sequence of diagonalizations of the Hamiltonian in restricted model spaces and are, in principle, all distinct from one another. The ground state is represented as a product of quartets to which, depending on the number of particles (supposed to be even, in any case), an extra collective pair is added. The extra pair is also determined variationally. In case of pairing in a spherically symmetric mean field, both the quartets and the extra pair (if any) are characterized by a total angular momentum J=0. Realistic applications of the quartet formalism are carried out for the Sn isotopes with the valence neutrons in the 50-82 neutron shell. Exact ground state correlation energies, occupation numbers and pair transfer matrix elements are reproduced to a very high degree of precision. The formalism also lends itself to a straightforward and accurate description of the lowest seniority 0 and 2 excited states of the pairing Hamiltonian. A simplified representation of the ground state as a product of identical quartets is eventually discussed and found to improve considerably upon the more traditional particle-number projected-BCS approach.