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Related papers: Nonlocal energy density functionals for low-energy…

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Density-potential functional theory (DPFT) is an alternative formulation of orbital-free density functional theory that may be suitable for modeling the electronic structure of large systems. To date, DPFT has been applied mainly to quantum…

Materials Science · Physics 2023-04-21 Martin-Isbjörn Trappe , William C. Witt , Sergei Manzhos

A nonlocal functional is used to calculate superconducting properties of barium yttrium copper oxide.

Superconductivity · Physics 2007-05-23 George B. Cvijanovich

Development of the electronic kinetic-energy density functional is a subject of major interest in theoretical physics and chemistry. In this work, the nonlocal kinetic-energy functional is developed in terms of the response function for the…

Chemical Physics · Physics 2022-06-17 Hideaki Takahashi

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…

Nuclear Theory · Physics 2020-03-03 G. Accorto , P. Brandolini , F. Marino , A. Porro , A. Scalesi , G. Colò , X. Roca-Maza , E. Vigezzi

In the last 10 years, we have observed an important increase of interest in the application of time-dependent energy density functional theory (TD-EDF). This approach allows to treat nuclear structure and nuclear reaction from small to…

Nuclear Theory · Physics 2015-10-28 Denis Lacroix , Yusuke Tanimura , Guillaume Scamps , Cédric Simenel

The non-equilibrium densities of nonlocal mass-energy are self-governed by kinetic stresses toward quasi-equilibrium sub-configurations. System energy integral of continuous matter-extension coordinates its adaptive densities on each…

General Physics · Physics 2021-05-06 Igor E. Bulyzhenkov

A comprehensive description of all single-particle properties associated with the nucleus ${}^{40}$Ca is generated by employing a nonlocal dispersive optical potential capable of simultaneously reproducing all relevant data above and below…

Nuclear Theory · Physics 2014-04-30 M. H. Mahzoon , R. J. Charity , W. H. Dickhoff , H. Dussan , S. J. Waldecker

Adopting an accurate kinetic energy density functional (KEDF) to characterize the noninteracting kinetic energy within the framework of orbital-free density functional theory (OFDFT) is challenging. We propose a new form of the non-local…

Computational Physics · Physics 2024-11-15 Liang Sun , Yuanbo Li , Mohan Chen

In a quasi-one-dimensional system the particles remain ordered from left to right allowing the association of a volume element to the particle which on average resides there. Thus the properties of that single particle can give the local…

Statistical Mechanics · Physics 2014-09-12 Gary Morriss

Background: Nuclear energy-density functional (EDF) approach has been widely used to describe nuclear-matter equations of state (EoS) and properties of finite nuclei. Recent advancements in neutron-star (NS) observations have put…

Nuclear Theory · Physics 2023-10-24 Hana Gil , Nobuo Hinohara , Chang Ho Hyun , Kenichi Yoshida

Semi-local density functionals for the exchange-correlation energy of electrons are extensively used as it produce realistic and accurate results for finite and extended systems. The choice of techniques play crucial role in constructing…

Materials Science · Physics 2017-11-01 Subrata Jana , Prasanjit Samal

The S-wave effective range parameters of the neutron-deuteron (nd) scattering are derived in the Faddeev formalism, using a nonlocal Gaussian potential based on the quark-model baryon-baryon interaction fss2. The spin-doublet low-energy…

Nuclear Theory · Physics 2015-03-17 Kenji Fukukawa , Yoshikazu Fujiwara

From a simplified version of the mathematical structure of the strong coupling limit of the exact exchange-correlation functional, we construct an approximation for the electronic repulsion energy at physical coupling strength, which is…

Chemical Physics · Physics 2017-05-11 Stefan Vuckovic , Paola Gori-Giorgi

Noncollinear (NC) magnetism and spin-orbit coupling (SOC) are indispensable for predictive ab initio materials simulations with pronounced relativistic effects and magnetic frustration, yet they significantly increase the cost of…

The pairing energy density functionals (EDFs) that include the spatial derivative and kinetic terms of the pair densities are discussed. The coupling constants of the pairing EDF are adjusted to reproduce the experimental pairing rotational…

Nuclear Theory · Physics 2018-02-14 Nobuo Hinohara

The spectral function for finite nuclei is computed within the framework of the Local Density Approximation, starting from nuclear matter spectral functions obtained with a realistic nucleon-nucleon interaction. The spectral function is…

Nuclear Theory · Physics 2008-11-26 D. Van Neck , A. E. L. Dieperink , E. Moya de Guerra

The microscopic approach was developed for obtaining of the free energy of a superconductor with help direct calculation of the vacuum amplitude. The functional of free energy of the spatially inhomogeneous superconductor in a magnetic…

Superconductivity · Physics 2013-08-06 K. V. Grigorishin , B. I. Lev

We construct tables of finite temperature equation of state (EoS) of hypernuclear matter in the range of densities, temperatures, and electron fractions that are needed for numerical simulations of supernovas, proto-neutron stars, and…

Nuclear Theory · Physics 2024-07-24 Stefanos Tsiopelas , Armen Sedrakian , Micaela Oertel

We derive an exact representation of the exchange-correlation energy within density functional theory (DFT) which spawns a class of approximations leading to correct long-range asymptotic behavior. In what amounts to be the simplest…

Materials Science · Physics 2009-11-10 Roi Baer , Daniel Neuhauser

We extend a recent calculation of the nuclear energy density functional in the systematic framework of chiral perturbation theory by computing the isovector spin-orbit terms: $(\vec \nabla \rho_p- \vec \nabla \rho_n)\cdot(\vec J_p-\vec J_n)…

Nuclear Theory · Physics 2009-11-10 N. Kaiser