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Density Functional Theory (DFT) is one of the most widely used methods for "ab initio" calculations of the structure of atoms, molecules, crystals, surfaces, and their interactions. Unfortunately, the customary introduction to DFT is often…

Physics Education · Physics 2010-12-07 Nathan Argaman , Guy Makov

The nuclear density of states plays an important role in nuclear reactions. At high energies, above a few MeV, the nuclear density of states is well described by a formula that depends on the smooth single particle density of states at the…

Nuclear Theory · Physics 2007-05-23 Sanjay K. Ghosh , Byron K. Jennings

We present the basic concepts and our recent developments in the density functional approaches with the Skyrme functionals for describing nuclear dynamics at low energy. The time-dependent density-functional theory (TDDFT) is utilized for…

Nuclear Theory · Physics 2013-10-16 Takashi Nakatsukasa

We show an $\textit{ab initio}$ construction of the energy density functional (EDF) for electron systems using the functional renormalization group. The correlation energies of the homogeneous electron gas given in our framework reproduce…

Strongly Correlated Electrons · Physics 2021-08-03 Takeru Yokota , Tomoya Naito

Existing molecular machine learning force fields (MLFFs) generally focus on the learning of atoms, molecules, and simple quantum chemical properties (such as energy and force), but ignore the importance of electron density (ED) $\rho(r)$ in…

Chemical Physics · Physics 2025-09-25 Hongxin Xiang , Ke Li , Mingquan Liu , Zhixiang Cheng , Bin Yao , Wenjie Du , Jun Xia , Li Zeng , Xin Jin , Xiangxiang Zeng

We use the Relativistic Mean Field (RMF) method to calculate properties of neutron rich, usually deformed nuclei, important for equation of state calculations and which have significant abundance in the early stages of stellar collapse. We…

Astrophysics · Physics 2009-10-28 F. K. Sutaria , J. A. Sheikh , A. Ray

To explore the applicability of orbital-free density functional theory (OF-DFT) in nuclear physics, we perform a systematic benchmark of 36 one-point kinetic energy density functionals, which are originally developed for electron systems in…

Nuclear Theory · Physics 2026-05-20 Tian Shuai Shang , Jian Li , Haozhao Liang , Xinhui Wu , Cheng Ma , Wenhui Mi , Xuecheng Shao , Yanchao Wang

We present the first application of a new approach, proposed in [Journal of Physics G: Nuclear and Particle Physics, 43, 04LT01 (2016)] to derive coupling constants of the Skyrme energy density functional (EDF) from ab initio Hamiltonian.…

Nuclear Theory · Physics 2020-09-03 G. Salvioni , J. Dobaczewski , C. Barbieri , G. Carlsson , A. Idini , A. Pastore

In nuclear physics, Density Functional Theory (DFT) provides the basis for state-of-the art studies of ground-state properties of heavy nuclei. However, the direct relation of the density functional underlying these calculations and the…

Nuclear Theory · Physics 2016-12-21 Sandra Kemler , Martin Pospiech , Jens Braun

In spite of numerous scientific and practical applications, there is still no comprehensive theoretical description of the nuclear fission process based solely on protons, neutrons and their interactions. The most advanced simulations of…

Nuclear Theory · Physics 2025-10-29 N. Schunck , K. R. Quinlan , J. Bernstein

The electric dipole (E1) strength functions have been systematically calculated based on the time-dependent density functional theory (TDDFT), using the finite amplitude method and the real-time approach to the TDDFT with pairing…

Nuclear Theory · Physics 2017-08-23 Shuichiro Ebata , Tsunenori Inakura , Takashi Nakatsukasa

Nuclear density functional theory provides a unified description of finite nuclei and bulk nuclear matter, and is widely used to model the neutron star equation of state. However, extrapolations to supra-saturation densities require a…

The systematic investigation of the ground state and fission properties of even-even actinides and superheavy nuclei with $Z=90-120$ from the two-proton up to two-neutron drip lines with proper assessment of systematic theoretical…

Nuclear Theory · Physics 2021-03-09 A. Taninah , S. E. Agbemava , A. V. Afanasjev

We present a novel nuclear energy density functional method to calculate spectroscopic properties of atomic nuclei. Intrinsic nuclear quadrupole deformations and rotational frequencies are considered simultaneously as the degrees of freedom…

Nuclear Theory · Physics 2016-02-10 J. Luis Egido , Marta Borrajo , Tomás R. Rodríguez

A new method for constructing a Hamiltonian for configuration interaction calculations with constraints to energies of spherical configurations obtained with energy-density-functional (EDF) methods is presented. This results in a unified…

Nuclear Theory · Physics 2011-01-04 B. Alex Brown , Angelo Signoracci , Morten Hjorth-Jensen

Low-energy nuclear structure is not sensitive enough to resolve fine details of nucleon-nucleon (NN) interaction. Insensitivity of infrared physics to the details of short-range strong interaction allows for consistent, free of ultraviolet…

Nuclear Theory · Physics 2008-11-26 Wojciech Satula

Covariant density functional theory based on the relativistic mean field (RMF) Lagrangian with the parameter set NL3 has been used in the last ten years with great success. Now we propose a modification of this parameter set, which improves…

Nuclear Theory · Physics 2014-11-20 G. A. Lalazissis , S. Karatzikos , R. Fossion , D. Pena Arteaga , A. V. Afanasjev , P. Ring

A set of relativistic mean field models is constructed including the Hartree and Hartree-Fock approximation accounting for the exchange of isoscalar and isovector mesons as well as the pion. Density dependent coupling functions are…

Nuclear Theory · Physics 2011-09-02 E. N. E. van Dalen , H. Müther

The time-dependent density functional theory (TDDFT) provides a unified description of the structure and reaction. The linear approximation leads to the random-phase approximation (RPA) which is capable of describing a variety of collective…

Nuclear Theory · Physics 2016-05-09 Kai Wen , Kouhei Washiyama , Ni Fang , Takashi Nakatsukasa

Ensemble Density Functional Theory (EDFT) is a generalization of ground-state Density Functional Theory (GS DFT), which is based on an exact formal theory of finite collections of a system's ground and excited states. EDFT in various forms…

Materials Science · Physics 2024-08-27 Remi J. Leano , Aurora Pribram-Jones , David A. Strubbe
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