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Related papers: Mapping exchange in relativistic Hartree-Fock

200 papers

The density matrix expansion is used to derive a local energy density functional for finite range interactions with a realistic meson exchange structure. Exchange contributions are treated in a local momentum approximation. A generalized…

Nuclear Theory · Physics 2008-11-26 F. Hofmann , H. Lenske

We study the Bogoliubov-Dirac-Fock (BDF) model, a no-photon, mean-field approxi- mation of quantum electrodynamics that allows to study relativistic electrons interacting with the vacuum. It is a variational model in which states are…

Mathematical Physics · Physics 2014-05-16 Jérémy Sok

The Hartree-Fock exchange potential is fundamental for capturing quantum mechanical exchange effects but faces critical challenges in large-scale applications due to its nonlocal and computationally intensive nature. This study introduces a…

Chemical Physics · Physics 2025-09-03 Fei Xu

We discuss two different approximation schemes for the self-consistent solution of the {\it relativistic} Brueckner-Hartree-Fock equation for finite nuclei. In the first scheme, the Dirac effects are deduced from corresponding nuclear…

Nuclear Theory · Physics 2009-10-22 R. Fritz H. Müther , R. Machleidt

A new relativistic Hartree-Fock approach with density-dependent $\sigma$, $\omega$, $\rho$ and $\pi$ meson-nucleon couplings for finite nuclei and nuclear matter is presented. Good description for finite nuclei and nuclear matter is…

Nuclear Theory · Physics 2009-11-11 WenHui Long , Nguyen Van Giai , Jie Meng

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 extend the relativistic mean field theory model of Sugahara and Toki (TM1) by adding new couplings suggested by modern effective field theories. An improved set of parameters (TM1*) is developed with the goal to test the ability of the…

Nuclear Theory · Physics 2007-05-23 M. Del Estal , M. Centelles , X. Viñas , S. K. Patra

We compare the behavior of the finite-temperature Hartree-Fock model with that of thermal density functional theory using both ground-state and temperature-dependent approximate exchange functionals. The test system is bcc Li in the…

Materials Science · Physics 2013-11-26 Valentin V. Karasiev , Travis Sjostrom , S. B. Trickey

It is known for quite some time that approximate density functional (ADF) theories fail disastrously when describing the dis-sociative symmetric radical cations R2+. Considering this dissociation limit, previous work has shown that…

Materials Science · Physics 2016-09-28 Ester Livshits , Roi Baer

It is well-known from unrestricted Hartree-Fock computations that the 2D Hubbard model does not have homogeneous mean field states in significant regions of parameter space away from half filling. This is incompatible with standard mean…

Strongly Correlated Electrons · Physics 2015-06-24 Edwin Langmann , Mats Wallin

Exchange interactions are a manifestation of the quantum mechanical nature of the electrons and play a key role in predicting the properties of materials from first principles. In density functional theory (DFT), a widely used approximation…

Materials Science · Physics 2020-03-27 Marco Bernardi

Methods based on propagation of the one-body reduced density-matrix hold much promise for the simulation of correlated many-electron dynamics far from equilibrium, but difficulties with finding good approximations for the interaction term…

Chemical Physics · Physics 2016-02-12 Peter Elliott , Neepa T. Maitra

The Random Phase Approximation (RPA) for total energies has previously been shown to provide a qualitatively correct description of static correlation in molecular systems, where density functional theory (DFT) with local functionals are…

Materials Science · Physics 2017-09-27 Thomas Olsen

Many-body techniques for the calculation of quasielastic nuclear matter response functions in the fully antisymmetrized random phase approximation on a Hartree-Fock basis are discussed in detail. The methods presented here allow for an…

Nuclear Theory · Physics 2009-10-31 A. De Pace

We compare the systematics of binding energies computed within the standard and extended versions of the relativistic mean-field (RMF) model and the Skyrme Hartree-Fock (SHF) model. The general trends for the binding energies for…

Nuclear Theory · Physics 2015-05-20 P. -G. Reinhard , B. K. Agrawal

Time-dependent Hartree-Fock (TDHF) is one of the fundamental post-Hartree-Fock (HF) methods to describe excited states. In its Tamm-Dancoff form, equivalent to Configuration Interaction Singles, it is still widely used and particularly…

Chemical Physics · Physics 2024-11-18 Uday Panta , David A. Strubbe

We calculate $\partial\mu/\partial n$ in extrinsic graphene as a function of carrier density $n$ at zero temperature by obtaining the electronic self-energy within the Hartree-Fock approximation. The exchange-driven Dirac-point logarithmic…

Mesoscale and Nanoscale Physics · Physics 2007-12-03 E. H. Hwang , Ben Yu-Kuang Hu , S. Das Sarma

We construct phenomenologically a relativistic particle-particle channel interaction which suits the gap equation for nuclear matter. This is done by introducing a density-independent momentum-cutoff parameter to the relativistic mean field…

Nuclear Theory · Physics 2009-10-31 Masayuki Matsuzaki , Tomonori Tanigawa

Exact (Hartree Fock) exchange is needed to overcome some of the limitations of local and semilocal approximations of density functional theory (DFT). So far, however, computational cost has limited the use of exact exchange in plane wave…

Strongly Correlated Electrons · Physics 2009-11-13 Xifan Wu , Annabella Selloni , Roberto Car

This work presents a preliminary study of 147 relativistic mean-field (RMF) hadronic models used in the literature, regarding their behavior in the nuclear matter regime. We analyze here different kinds of such models, namely: (i) linear…