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Density functional theory (DFT) offers a desirable balance between quantitative accuracy and computational efficiency in practical many-electron calculations. Its central component, the exchange-correlation energy functional, has been…

The self-energy of the Dirac Brueckner-Hartree-Fock calculation in nuclear matter is parametrized by introducing density-dependent coupling constants of isoscalar mesons in the relativistic Hartree-Fock (RHF) approach where isoscalar meson…

核理论 · 物理学 2009-10-28 Hua-lin Shi , Bao-qiu Chen , Zhong-yu Ma

We present the first mathematical analysis of stochastic density functional theory (DFT) in the context of the Hartree approximation. We motivate our analysis via the notion of nearly-optimal or $\tilde{O}(n)$ scaling with respect to the…

数值分析 · 数学 2025-06-03 Yuhang Cai , Michael Lindsey

The density dependent relativistic hadron field (DDRH) theory is applied to strongly asymmetric nuclear matter and finite nuclei far off stability. A new set of in-medium meson-nucleon vertices is derived from Dirac-Brueckner Hartree-Fock…

核理论 · 物理学 2009-11-06 F. Hofmann , C. M. Keil , H. Lenske

The construction of meta generalized gradient approximations based on the density matrix expansion (DME) is considered as one of the most accurate technique to design semilocal exchange energy functionals in two-dimensional density…

材料科学 · 物理学 2018-05-09 Abhilash Patra , Subrata Jana , Prasanjit Samal

Semiclassical expansions derived in the framework of the Extended Thomas-Fermi approach for the kinetic energy density tau(r) and the spin-orbit density J(r) as functions of the local density rho(r) are used to determine the central nuclear…

核理论 · 物理学 2007-05-23 J. Bartel , K. Bencheikh

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…

核理论 · 物理学 2021-04-27 S. Gmuca , K. Petrik , J. Leja

Density functional theory (DFT) provides a theoretical framework for efficient and fairly accurate calculations of the electronic structure of molecules and crystals. The main features of density functional theory are described and DFT…

化学物理 · 物理学 2012-06-12 Hauke Paulsen , Alfred Xaver Trautwein

Correlations between the thickness of the neutron skin in finite nuclei and the nuclear matter symmetry energy are studied in the Skyrme Hartree-Fock model. From the most recent analysis of the isospin diffusion data in heavy-ion collisions…

核理论 · 物理学 2009-11-11 Lie-Wen Chen , Che Ming Ko , Bao-An Li

Nuclei in the $Z\approx100$ mass region represent the heaviest systems where detailed spectroscopic information is experimentally available. Although microscopic-macroscopic and self-consistent models have achieved great success in…

核理论 · 物理学 2015-06-18 Yue Shi , J. Dobaczewski , P. T. Greenlees

Our model calculations performed in the frame of the Relativistic Mean Field (RMF) approach show how important are the modifications of nucleon Structure Function (SF) in Nuclear Matter (NM) above the saturation point. They originated from…

核理论 · 物理学 2012-05-04 J. Rożynek

We present a new method to solve the nuclear density functional theory (DFT) equations using a two-center harmonic oscillator for Skyrme-like functionals, incorporating pairing and Coulomb interactions. The goal is to efficiently determine…

核理论 · 物理学 2025-07-08 Adrián Sánchez-Fernández , Jacek Dobaczewski , Xuwei Sun , Herlik Wibowo

Locality of compact one-electron orbitals expanded strictly in terms of local subsets of basis functions can be exploited in density functional theory (DFT) to achieve linear growth of computation time with systems size, crucial in…

计算物理 · 物理学 2021-10-01 Yifei Shi , Jessica Karaguesian , Rustam Z. Khaliullin

The extension of the density functional theory (DFT) to include pairing correlations without formal violation of the particle-number conservation condition is described. This version of the theory can be considered as a foundation of the…

核理论 · 物理学 2007-05-23 S. Krewald , V. B. Soubbotin , V. I. Tselyaev , X. Vinas

In most of the successful versions of covariant density functional theory in nuclei, the Fock terms are not included explicitly, which leads to local functionals and forms the basis of their widespread applicability at present. However, it…

核理论 · 物理学 2012-09-04 Haozhao Liang , Pengwei Zhao , Peter Ring , Xavier Roca-Maza , Jie Meng

A variant of the basic Skyrme-Hartree-Fock (SHF) functional is considered dealing with a new form of density dependence. It employs only integer powers and thus will allow a more sound basis for projection schemes (particle number, angular…

核理论 · 物理学 2010-10-27 J. Erler , P. Klüpfel , P. -G. Reinhard

Nuclear Density Functional Theory (DFT) plays a prominent role in the understanding of nuclear structure, being the approach with the widest range of applications. Hohenberg and Kohn theorems warrant the existence of a nuclear Energy…

核理论 · 物理学 2020-03-03 G. Accorto , P. Brandolini , F. Marino , A. Porro , A. Scalesi , G. Colò , X. Roca-Maza , E. Vigezzi

Background: The $\gamma$ vibrational mode of excitation is an acknowledged collective mode in deformed nuclei. The collectivity depends on the details of the shell structure around the Fermi levels, in particular the presence of the…

核理论 · 物理学 2016-12-28 Kenichi Yoshida , Hiroshi Watanabe

Superscaling analyses of inclusive electron scattering from nuclei are extended from the quasielastic processes to the delta excitation region. The calculations of $(e,e^\prime)$ cross sections for the target nucleus $^{12}$C at various…

Based on the basic definition of Fermi energy of degenerate and relativistic electrons, we obtain a special solution to electron Fermi energy, $E_{\rm F}(e)$, and express $E_{\rm F}(e)$ as a function of electron fraction, $Y_{e}$, and…

高能天体物理现象 · 物理学 2016-03-09 Xing Hu Li , Zhi Fu Gao , Xiang Dong Li , Yan Xu , Pei Wang , Na Wang , Jianping Yuan