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We present and test a new approximation for the exchange-correlation (xc) energy of Kohn-Sham density functional theory. It combines exact exchange with a compatible non-local correlation functional. The functional is by construction free…

Chemical Physics · Physics 2014-05-23 Tobias Schmidt , Eli Kraisler , Adi Makmal , Leeor Kronik , Stephan Kümmel

One-particle properties of non-interacting Fermions in a one-dimensional harmonic trap and at zero temperature are studied. Exact expressions and asymptotic results for large Fermion number N are given for the particle density distribution…

Quantum Physics · Physics 2009-11-06 F. Gleisberg , W. Wonneberger , U. Schloeder , C. Zimmermann

We propose hybrid schemes incorporating exact exchange into thermally-assisted-occupation density functional theory (TAO-DFT) [J.-D. Chai, J. Chem. Phys. 136, 154104 (2012)] for an improved description of nonlocal exchange effects. With a…

Chemical Physics · Physics 2017-01-24 Jeng-Da Chai

We unite the dual quarkyonic model with the quark-meson coupling (QMC) model to construct a novel nuclear model based on the quark degrees of freedom, which can cover a wide range of nuclear density from low density to the crossover region.…

Nuclear Theory · Physics 2025-12-05 Koichi Saito , Tsuyoshi Miyatsu , Myung-Ki Cheoun

A comparative study of the nuclear Gamow-Teller response (GTR) within conceptually different state-of-the-art approaches is presented. Three nuclear microscopic models are considered: (i) the recently developed charge-exchange relativistic…

Nuclear Theory · Physics 2015-06-18 E. Litvinova , B. A. Brown , D. -L. Fang , T. Marketin , R. G. T. Zegers

An influence of the phonon-phonon coupling (PPC) on the $\beta$-decay half-lives and multi-neutron emission probabilities is analysed within the microscopic model based on the Skyrme interaction with tensor components included. The…

Nuclear Theory · Physics 2017-03-22 A. P. Severyukhin , N. N. Arsenyev , I. N. Borzov , E. O. Sushenok

The derivative discontinuity of the exchange-correlation (xc) energy at integer particle number is a property of the exact, unknown xc functional of density functional theory (DFT) which is absent in many popular local and semilocal…

Strongly Correlated Electrons · Physics 2015-06-11 Gao Xianlong , A-Hai Chen , I. V. Tokatly , S. Kurth

A recently proposed "DFT+dispersion" treatment (Rajchel et al., Phys. Rev. Lett., 2010, 104, 163001) is described in detail and illustrated by more examples. The formalism derives the dispersion-free density functional theory (DFT)…

We have shown that a local-density-dependent term, $F[\rho(r)] \rho(r)$, of the pion-nucleus potential with a nuclear density, $\rho(r)$, can be transposed to a conventional density-linear term, $F(\rho_e) \rho(r)$, with an effective…

Nuclear Theory · Physics 2007-05-23 Toshimitsu Yamazaki , Satoru Hirenzaki

Most density functionals have been developed by imposing the known exact constraints on the exchange-correlation energy, or by a fit to a set of properties of selected systems, or by both. However, accurate modeling of the conventional…

Materials Science · Physics 2016-08-24 Jianmin Tao , Yuxiang Mo

This paper compiles the model parameters and zero-temperature properties of an extensive collection of published theoretical nuclear interactions, including 255 non-relativistic (Skyrme-like) forces, 270 relativistic mean field (RMF) and…

Nuclear Theory · Physics 2024-05-07 Boyang Sun , Saketh Bhattiprolu , James M. Lattimer

Adopting the density dependent relativistic mean-field (RMF) and relativistic Hartree-Fock (RHF) approaches, the properties of the nuclear fourth-order symmetry energy $S_4$ are studied within the covariant density functional (CDF) theory.…

Nuclear Theory · Physics 2018-02-12 Zhi Wei Liu , Zhuang Qian , Ruo Yu Xing , Jia Rui Niu , Bao Yuan Sun

The near nucleus behavior of the exchange-correlation potential $v_{xc}({\bf r})$ in Hohenberg-Kohn-Sham density functional theory is investigated. It is shown that near the nucleus the linear term of $O(r)$ of the spherically averaged…

Materials Science · Physics 2009-11-13 Zhixin Qian

The temperature dependence of the energy centroids and strength distributions for Gamow-Teller (GT) $1^+$ excitations in several fp-shell nuclei is studied. The quasiparticle random phase approximations (QRPA) is extended to describe GT…

Astrophysics · Physics 2009-10-31 O. Civitarese , A. Ray

Based on the Hugenholtz-Van Hove theorem, the symmetry energy $J$ and its density slope parameter $L$ are decomposed in terms of the nucleon self-energies within the covariant density functional (CDF) theory. It is found that two structural…

Nuclear Theory · Physics 2018-09-12 Zhi Wei Liu , Qian Zhao , Bao Yuan Sun

A new density matrix and corresponding quantum kinetic equations are introduced for fermions undergoing coherent evolution either in time (coherent particle production) or in space (quantum reflection). A central element in our derivation…

High Energy Physics - Phenomenology · Physics 2009-02-02 Matti Herranen , Kimmo Kainulainen , Pyry Matti Rahkila

A system of soft ellipsoid molecules confined between two planar walls is studied using classical Density Functional Theory (DFT). Both the isotropic and nematic phases are considered. The excess free energy is evaluated using two different…

Materials Science · Physics 2009-11-10 David Cheung , Friederike Schmid

The presence of a particle continuum, both of a resonant and non-resonant character, can significantly impact spectroscopic properties of weakly bound nuclei and excited nuclear states close to, and above, the particle emission threshold.…

Nuclear Theory · Physics 2008-11-26 N. Michel , W. Nazarewicz , M. Ploszajczak

The simultaneous description for nuclear matter and finite nuclei has been a long-standing challenge in nuclear ab initio theory. With the success for nuclear matter, the relativistic Brueckner-Hartree-Fock (RBHF) theory with covariant…

Nuclear Theory · Physics 2025-03-14 Wei-Jiang Zou , Yi-Long Yang , Shihang Shen , Jie Meng

The simplicity in the nuclear quadrupole moments reported recently in $^{107-129}$Cd, i.e., a linear increase of the ${11/2}^-$ quadrupole moments, is investigated microscopically with the covariant density functional theory. Using the…

Nuclear Theory · Physics 2013-11-14 P. W. Zhao , S. Q. Zhang , J. Meng
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