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The Hartree-Fock approximation to the many-fermion problem can break exact symmetries, and in some cases by changing a parameter in the interaction one can drive the Hartree-Fock minimum from a symmetry-breaking state to a…

Nuclear Theory · Physics 2009-09-11 Calvin W. Johnson , Ionel Stetcu

We present a density matrix approach for computing global solutions of restricted open-shell Hartree-Fock theory, based on semidefinite programming (SDP), that gives upper and lower bounds on the Hartree-Fock energy of quantum systems.…

Chemical Physics · Physics 2014-04-22 Srikant Veeraraghavan , David A. Mazziotti

Brueckner-Hartree-Fock theory allows to derive the $G$-matrix as an effective interaction between nucleons in the nuclear medium. It depends on the center of mass momentum $\bm{P}$ of the two particles and on the two relative momenta…

Nuclear Theory · Physics 2018-11-14 Hui Tong , Xiu-Lei Ren , Peter Ring , Shi-Hang Shen , Si-Bo Wang , Jie Meng

Energy barriers, which control the rates of chemical reactions, are seriously underestimated by computationally-efficient semi-local approximations for the exchange-correlation energy. The accuracy of a semi-local density functional…

Chemical Physics · Physics 2023-11-06 Bikash Kanungo , Aaron D. Kaplan , Chandra Shahi , Vikram Gavini , John P. Perdew

Although spin is a core property in fermionic systems, its symmetry can be easily violated in a variational simulation, especially when strong correlation plays a vital role therein. In this study, we will demonstrate that the broken…

Chemical Physics · Physics 2023-10-09 Takashi Tsuchimochi , Yuto Mori , Seiichiro L. Ten-no

We present and compare several many-body methods as applied to two-dimensional quantum dots with circular symmetry. We calculate the approximate ground state energy using a harmonic oscillator basis optimized by Hartree-Fock (HF) theory and…

In this article, we consider quantum crystals with defects in the reduced Hartree-Fock framework. The nuclei are supposed to be classical particles arranged around a reference periodic configuration. The perturbation is assumed to be small…

Mathematical Physics · Physics 2018-03-28 Salma Lahbabi

We test a set of multiconfigurational wavefunction approaches for calculating the ground state electron population for a two-site Anderson model representing a molecule on a metal surface. In particular, we compare (i) a Hartree Fock like…

Chemical Physics · Physics 2022-07-19 Junhan Chen , Wenjie Dou , Joseph Subotnik

A set of relativistic mean field models is constructed including the Hartree and Hartree-Fock approximation accounting for the exchange of isoscalar and isovector mesons as well as the pion. Density dependent coupling functions are…

Nuclear Theory · Physics 2011-09-02 E. N. E. van Dalen , H. Müther

We consider the many-body dynamics of fermions with Coulomb interaction in a mean-field scaling limit where the kinetic and potential energy are of the same order for large particle numbers. In the considered limit the spatial variation of…

Mathematical Physics · Physics 2017-05-26 Sören Petrat

This contribution reviews the present status of the Skyrme-Hartree-Fock (SHF) approach as one of the leading self-consistent mean-field models in the physics of atomic nuclei. It starts with a brief summary of the formalism and strategy for…

Nuclear Theory · Physics 2016-01-26 P. -G. Reinhard

While Hartree-Fock theory is well established as a fundamental approximation for interacting fermions, it has been unclear how to describe corrections to it due to many-body correlations. In this paper we start from the Hartree-Fock state…

Mathematical Physics · Physics 2020-04-13 Niels Benedikter , Phan Thành Nam , Marcello Porta , Benjamin Schlein , Robert Seiringer

Background: Time-dependent techniques in nuclear theory often rely on mean-field or Hartree-Fock descriptions. Beyond mean-field dynamical calculations within the time-dependent density matrix (TDDM) theory have often invoked symmetry…

Nuclear Theory · Physics 2021-06-09 M. C. Barton , P. D. Stevenson , A. Rios

We revisit the derivation of the time-dependent Hartree-Fock equation for interacting fermions in a regime coupling a mean-field and a semiclassical scaling, contributing two comments to the result obtained in 2014 by Benedikter, Porta, and…

Mathematical Physics · Physics 2022-07-19 Niels Benedikter , Davide Desio

We describe the connection between inversion symmetry breaking and criticality in free fermionic lattice models. It is shown that for translation-invariant spinless fermions, the breaking of this symmetry in the ground state implies…

Quantum Physics · Physics 2017-02-17 Zoltan Kadar

We introduce a generic approach to study interaction effects in diffusive or chaotic quantum dots in the Coulomb blockade regime. The randomness of the single-particle wave functions induces randomness in the two-body interaction matrix…

Mesoscale and Nanoscale Physics · Physics 2009-11-10 Y. Alhassid , H. A. Weidenmueller , A. Wobst

Neural networks have shown to be a powerful tool to represent the ground state of quantum many-body systems, including fermionic systems. However, efficiently integrating lattice symmetries into neural representations remains a significant…

Strongly Correlated Electrons · Physics 2025-02-03 Imelda Romero , Jannes Nys , Giuseppe Carleo

The derivation of effective macroscopic theories approximating microscopic systems of interacting particles is a major question in non-equilibrium statistical mechanics. In these notes we present an approximation of systems made by many…

Mathematical Physics · Physics 2023-07-18 Chiara Saffirio

We consider here variational solutions in the Hartree-Fock approximation upon breaking time reversal and axial symmetries. When decomposed on axial harmonic oscillator functions, the corresponding single particle triaxial eigenstates as…

Nuclear Theory · Physics 2009-10-31 D. Samsoen , P. Quentin , J. Bartel

A simple and commonly employed approximate technique with which one can examine spatially disordered systems when strong electronic correlations are present is based on the use of real-space unrestricted self-consistent Hartree-Fock wave…

Strongly Correlated Electrons · Physics 2009-11-13 X. Chen , A. Farhoodfar , T. McIntosh , R. J. Gooding , P. W. Leung
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