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Related papers: Applicability of self-consistent mean-field theory

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A non-convergent difficulty near level-repulsive region is discussed within the self-consistent mean-field theory. It is shown by numerical and analytic studies that the mean-field is not realized in the many-fermion system when quantum…

Nuclear Theory · Physics 2009-11-10 Lu Guo , Fumihiko Sakata , En-Guang Zhao , J. A. Maruhn

A shape change of the self-consistent mean-field induced by a configuration change is discussed within the conventional constrained Hartree-Fock (CHF) theory. It is stressed that a single-particle level crossing dynamics should be treated…

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

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

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

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 Hartree-Fock equation is a fundamental equation in many-electron problems. It is of practical importance in quantum chemistry to find solutions to the Hartree-Fock equation. The self-consistent field (SCF) method is a standard numerical…

Analysis of PDEs · Mathematics 2023-11-17 Sohei Ashida

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 review the self-consistent mean-field theory for charge-frustrated Josephson junction arrays. Using <cos(\phi)> (\phi is the phase of the superconducting wavefunction) as order parameter and imposing the self-consistency condition, we…

Superconductivity · Physics 2007-05-23 F. P. Mancini , P. Sodano , A. Trombettoni

In this work, we derive the time-dependent Hartree(-Fock) equations as an effective dynamics for fermionic many-particle systems. Our main results are the first for a quantum mechanical mean-field dynamics for fermions; in previous works,…

Mathematical Physics · Physics 2014-05-23 Sören Petrat

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 introduce a new method for deriving the time-dependent Hartree or Hartree-Fock equations as an effective mean-field dynamics from the microscopic Schroedinger equation for fermionic many-particle systems in quantum mechanics. The method…

Mathematical Physics · Physics 2016-11-29 Sören Petrat , Peter Pickl

This article is concerned with the derivation and the mathematical study of a new mean-field model for the description of interacting electrons in crystals with local defects. We work with a reduced Hartree-Fock model, obtained from the…

Mathematical Physics · Physics 2009-02-06 Eric Cancès , Amélie Deleurence , Mathieu Lewin

I review results concerning the derivation of effective equations for the dynamics of interacting Fermi gases in a high-density regime of mean-field type. Three levels of effective theories, increasing in precision, can be distinguished:…

Mathematical Physics · Physics 2022-08-17 Niels Benedikter

In the stochastic mean-field approach, an ensemble of initial conditions is considered to incorporate correlations beyond the mean-field. Then each starting pont is propagated separately using the Time-Dependent Hartree-Fock equation of…

Nuclear Theory · Physics 2015-06-11 Denis Lacroix , Sakir Ayik , Bulent Yilmaz , Kouhei Washiyama

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

This article examines the time-dependent Hartree-Fock (TDHF) approximation of single-particle dynamics in systems of interacting fermions. We find the TDHF approximation to be accurate when there are sufficiently many particles and the…

Mathematical Physics · Physics 2007-05-23 Claude Bardos , Francois Golse , Alex D. Gottlieb , Norbert J. Mauser

The time-dependent Hartree-Fock equations are derived from the N-particle Schr\"odinger equation with mean-field scaling in the infinite particle limit, for initial data that are like Slater determinants. Only the case of bounded…

Mathematical Physics · Physics 2015-02-25 Claude Bardos , Francois Golse , Alex D. Gottlieb , Norbert J. Mauser

We present the implementation of a quadratically convergent Self-consistent field (QCSCF) algorithm based on an adaptive trust-radius optimization scheme for restricted open-shell Hartree-Fock (ROHF), restricted Hartree-Fock (RHF), and…

Chemical Physics · Physics 2022-01-12 Tommaso Nottoli , Jürgen Gauss , Filippo Lipparini

This article concerns the time-dependent Hartree-Fock (TDHF) approximation of single-particle dynamics in systems of interacting fermions. We find that the TDHF approximation is accurate when there are sufficiently many particles and the…

Quantum Physics · Physics 2015-02-25 Claude Bardos , Francois Golse , Alex D. Gottlieb , Norbert J. Mauser

We present a systematic and reliable methodology, termed hierarchical mean-field theory (HMFT), to study and predict the behavior of strongly coupled many-particle systems. HMFT is a simple approximation, based upon group theoretical…

Strongly Correlated Electrons · Physics 2007-05-23 Gerardo Ortiz , Cristian D. Batista
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