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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

Fission resulting from collision of atomic nuclei is systematically investigated based on time-dependent density functional calculations. Time-dependent density functional theory (TDDFT) is a framework, which enables us to treat quantum…

Nuclear Theory · Physics 2019-03-26 Yoritaka Iwata

Nuclear density functional theory (DFT) is able to reproduce the saturation properties of nuclear matter, as well as properties of finite nuclei. Consequently, the DFT calculations are applicable to nuclei across a wide range of masses on…

Nuclear Theory · Physics 2025-06-12 Kota Yoshinaga , Noritaka Shimizu , Takashi Nakatsukasa

BiFold calculates the density-dependent (DDM3Y$n$, BDM3Y$n$, CDM3Y$n$) or independent double folded potentials between two colliding spherical nuclei. It is written in a Python package form to give the ability to use the potentials directly…

Computational Physics · Physics 2022-12-05 Mesut Karakoç

We present an extensive review of the two-dimensional finite difference Hartree--Fock (FD HF) method, and present its implementation in the newest version of X2DHF, the FD HF program for atoms and diatomic molecules. The program was…

Computational Physics · Physics 2025-03-12 Jacek Kobus , Susi Lehtola

We construct nuclear energy density functionals in terms of derivatives of densities up to sixth, next-to-next-to-next-to-leading order (N3LO). A phenomenological functional built in this way conforms to the ideas of the density matrix…

Nuclear Theory · Physics 2014-11-18 B. G. Carlsson , J. Dobaczewski , M. Kortelainen

The coordinate-space representation of the Hartree-Fock-Bogoliubov theory is the method of choice to study weakly bound nuclei whose properties are affected by the quasiparticle continuum space. To describe such systems, we developed a…

Nuclear Theory · Physics 2022-03-28 Mengzhi Chen , Tong Li , Bastian Schuetrumpf , Paul-Gerhard Reinhard , Witold Nazarewicz

The Skyrme energy density functional has been applied to the study of heavy-ion fusion reactions. The barriers for fusion reactions are calculated by the Skyrme energy density functional with proton and neutron density distributions…

Nuclear Theory · Physics 2009-11-11 Min Liu , Ning Wang , Zhuxia Li , Xizhen Wu , Enguang Zhao

Large-scale density functional theory (DFT) calculations provide a powerful tool to investigate the atomic and electronic structure of materials with complex structures. This article reviews a large-scale DFT calculation method, the…

Materials Science · Physics 2022-08-31 Ayako Nakata , David R. Bowler , Tsuyoshi Miyazaki

The temperature dependence of the volume and surface components of the nuclear symmetry energy (NSE) and their ratio is investigated in the framework of the local density approximation (LDA). The results of these quantities for finite…

Nuclear Theory · Physics 2018-12-05 A. N. Antonov , D. N. Kadrev , M. K. Gaidarov , P. Sarriguren , E. Moya de Guerra

Density Functional Theory (DFT) is a robust framework for modeling interacting many-body systems, including the equation of state (EoS) of dense matter. Many models, however, rely on energy functionals based on assumptions that have not…

Nuclear Theory · Physics 2025-06-06 Udita Shukla , Pok Man Lo

Knowing the rate at which particle radiation releases energy in a material, the stopping power, is key to designing nuclear reactors, medical treatments, semiconductor and quantum materials, and many other technologies. While the nuclear…

Materials Science · Physics 2024-09-13 Logan Ward , Ben Blaiszik , Cheng-Wei Lee , Troy Martin , Ian Foster , André Schleife

By introducing a density-dependent contact term, M3Y-type interactions applicable to the Hartree-Fock calculations are developed. In order to view basic characters of the interactions, we carry out calculations on the uniform nuclear matter…

Nuclear Theory · Physics 2009-11-10 H. Nakada

This chapter provides a basic introduction to excited-state extensions of density functional theory (DFT), including time-dependent (TD-)DFT in both its linear-response and its explicitly time-dependent formulations. As applied to the…

Chemical Physics · Physics 2023-05-02 John M. Herbert

Incorporating nuclear shell effects within the framework of orbital-free density functional theory (DFT) has remained a longstanding challenge in nuclear physics. While the Hohenberg-Kohn theorem formally guarantees the existence of an…

Nuclear Theory · Physics 2026-03-03 Xinhui Wu , Gianluca Colò , Kouichi Hagino , Pengwei Zhao

While ab initio many-body techniques have been able to successfully describe the properties of light and intermediate mass nuclei based on chiral effective field theory interactions, neutron-rich nuclei still remain out of reach for these…

Nuclear Theory · Physics 2020-01-08 R. Navarro Pérez , N. Schunck

We describe the new version (v2.73y) of the code HFODD which solves the nuclear Skyrme Hartree-Fock or Skyrme Hartree-Fock-Bogolyubov problem by using the Cartesian deformed harmonic-oscillator basis. In the new version, we have implemented…

We present a substantial extension of our constraint-based approach for development of orbital-free (OF) kinetic-energy (KE) density functionals intended for the calculation of quantum-mechanical forces in multi-scale molecular dynamics…

Materials Science · Physics 2015-05-13 V. V. Karasiev , R. S. Jones , S. B. Trickey , Frank E. Harris

By inverting the time-dependent Kohn-Sham equation for a numerically exact dynamics of the helium atom, we show that the dynamical step and peak features of the exact correlation potential found previously in one-dimensional models persist…

Chemical Physics · Physics 2022-07-28 Davood Dar , Lionel Lacombe , Johannes Feist , Neepa Maitra

This paper studies DFT models for homogeneous 1D materials in the 3D space. It follows our previous work about DFT models for homogeneous 2D materials in 3D. We show how to reduce the problem from a 3D energy functional to a 2D energy…

Mathematical Physics · Physics 2023-12-29 Bouchra Bensiali , Salma Lahbabi , Abdallah Maichine , Othmane Mirinioui
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