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Within the constrained Hartree-Fock (CHF) theory, an analytic condition is derived to estimate whether a concept of the self-consistent mean field is realized or not in level repulsive region. The derived condition states that an iterative…

Nuclear Theory · Physics 2009-11-10 Lu Guo , Fumihiko Sakata , Enguang Zhao

The collective ground-state correlations stemming from low-lying quadrupole excitations are computed microscopically. To that end, the self-consistent mean-field model is employed on the basis of the Skyrme-Hartre-Fock (SHF) functional…

Nuclear Theory · Physics 2008-11-26 P. Klüpfel , J. Erler , P. --G. Reinhard , J. A. Maruhn

A multi-configuration mixing approach built on essentially complex, symmetry-projected Hartree-Fock-Bogoliubov (HFB) mean fields is introduced. The mean fields are obtained by variation after projection. The configuration space consists out…

Nuclear Theory · Physics 2009-10-28 E. Bender , K. W. Schmid , Amand~Faessler

In this work, we develop a self-consistent Hartree-Fock approach to theoretically study the far-from-equilibrium quantum dynamics of interacting fermions, and apply this approach to explore the onset of many-body localization (MBL) in these…

Disordered Systems and Neural Networks · Physics 2018-12-31 Simon A. Weidinger , Sarang Gopalakrishnan , Michael Knap

Multiconfigurational Hartree-Fock theory is presented and implemented in an investigation of the fragmentation of a Bose-Einstein condensate made of identical bosonic atoms in a double well potential at zero temperature. The approach builds…

Other Condensed Matter · Physics 2007-10-16 D. Masiello , S. B. McKagan , W. P. Reinhardt

We present a microscopic description of cluster emission processes within the Cluster--Hartree--Fock (CHF) self--consistent field (SCF) theory. The starting point is a Woods--Saxon (WS) mean field (MF) with spin--orbit and Coulomb terms.…

Nuclear Theory · Physics 2025-02-20 A. Dumitrescu , D. S. Delion

We present a mean field theory for excited states that is broadly analogous to ground state Hartree-Fock theory. Like Hartree-Fock, our approach is deterministic, state-specific, applies a variational principle to a minimally correlated…

Strongly Correlated Electrons · Physics 2018-08-28 Jacqueline A. R. Shea , Eric Neuscamman

In this article, we set up a functional setting for mean-field electronic structure models of Hartree-Fock or Kohn-Sham types for disordered crystals. The electrons are quantum particles and the nuclei are classical point-like articles…

Mathematical Physics · Physics 2013-12-11 Eric Cancès , Salma Lahbabi , Mathieu Lewin

Accurate modeling of conical intersections is crucial in nonadiabatic molecular dynamics, as these features govern processes such as radiationless transitions and photochemical reactions. Conventional electronic structure methods, including…

Chemical Physics · Physics 2025-09-01 Federico Rossi , Henrik Koch

We show that, as in Hartree Fock theory, the orbitals for excited state mean field theory can be optimized via a self-consistent one-electron equation in which electron-electron repulsion is accounted for through mean field operators. In…

Chemical Physics · Physics 2020-12-02 Tarini S. Hardikar , Eric Neuscamman

In this paper we study the dynamics of fermionic mixed states in the mean-field regime. We consider initial states which are close to quasi-free states and prove that, under suitable assumptions on the inital data and on the many-body…

Mathematical Physics · Physics 2015-02-12 Niels Benedikter , Vojkan Jaksic , Marcello Porta , Chiara Saffirio , Benjamin Schlein

Our previously developed Constrained-Pairing Mean-Field Theory (CPMFT) is shown to map onto an Unrestricted Hartree-Fock (UHF) type method if one imposes a corresponding pair constraint to the correlation problem that forces occupation…

Strongly Correlated Electrons · Physics 2015-05-19 Takashi Tsuchimochi , Thomas M. Henderson , Gustavo E. Scuseria , Andreas Savin

The exchange part of energy density of the linear Dirac--Hartree--Fock (DHF) model in symmetric nuclear matter is evaluated in a parameter--free closed form and expressed as density functional. After the rearranging terms the relativistic…

Nuclear Theory · Physics 2021-04-27 S. Gmuca , K. Petrik , J. Leja

We study the many body Schr\"odinger evolution of weakly coupled fermions interacting through a Coulomb potential. We are interested in a joint mean field and semiclassical scaling, that emerges naturally for initially confined particles.…

Mathematical Physics · Physics 2017-03-08 Marcello Porta , Simone Rademacher , Chiara Saffirio , Benjamin Schlein

A uniform derivation is presented of the self-consistent field equations in a finite basis set. Both restricted and unrestricted Hartree-Fock (HF) theory as well as various density functional (DF) approximations are considered. The unitary…

Computational Physics · Physics 2020-03-10 Susi Lehtola , Frank Blockhuys , Christian Van Alsenoy

The behavior of several nuclear properties with temperature is analyzed within the framework of the Finite Temperature Hartree-Fock-Bogoliubov (FTHFB) theory with the Gogny force and large configuration spaces. Thermal shape fluctuations in…

Nuclear Theory · Physics 2014-11-18 V. Martin , J. L. Egido , L. M. Robledo

We have generalized the dynamical mean-field theory to study the doping dependence of the crossover from antiferromagnetic to short-range order modelled by an incommensurate spin density wave in the Hubbard model. The local selfenergy which…

Strongly Correlated Electrons · Physics 2009-10-31 M. Fleck , A. I. Lichtenstein , A. M. Oles , L. Hedin , V. I. Anisimov

The variational Hartree-Fock-Bogoliubov (HFB) mean-field theory is the starting point of various (ab initio) many-body methods dedicated to superfluid systems. While taking the zero-pairing limit of HFB equations constitutes a text-book…

Nuclear Theory · Physics 2020-11-19 T. Duguet , B. Bally , A. Tichai

A systematic study of the temperature dependence of the shapes and pairing gaps of some isotopes in the rare-earth region is made in the relativistic Hartree-BCS theory. Thermal response to these nuclei is always found to lead to a phase…

Nuclear Theory · Physics 2009-11-06 B. K. Agrawal , Tapas Sil , S. K. Samaddar , J. N. De

Background: The relativistic Hartree-Fock-Bogoliubov (RHFB) theory has recently been developed and it provides a unified and highly predictive description of both nuclear mean field and pairing correlations. Ground state properties of…

Nuclear Theory · Physics 2015-12-16 Jia Jie Li , Jérôme Margueron , Wen Hui Long , Nguyen Van Giai
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