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The density functional theory (DFT) is the most versatile electronic structure method used in quantum chemical calculations, and is increasingly applied in astrochemical research. This mini-review provides an overview of the applications of…

Astrophysics of Galaxies · Physics 2023-10-24 Qingli Liao , Junzhi Wang , Peng Xie , Enwei Liang , Zhao Wang

The spin and parity dependent nuclear level densities (NLD) are calculated for medium-heavy nuclei using shell model techniques. The NLD are used to calculate cross sections and reaction rates of interest for nuclear astrophysics and…

Nuclear Theory · Physics 2018-01-17 Mihai Horoi , Jayani Dissanayake

Two types of approaches to modeling molecular systems have demonstrated high practical efficiency. Density functional theory (DFT), the most widely used quantum chemical method, is a physical approach predicting energies and electron…

Chemical Physics · Physics 2020-03-02 Anton V. Sinitskiy , Vijay S. Pande

We aim to develop a nuclear energy density functional that can be simultaneously applied to finite nuclei and neutron stars. We use the self-consistent nuclear density functional theory (DFT) with Skyrme energy density functionals and…

Nuclear Theory · Physics 2015-01-28 J. Erler , C. J. Horowitz , W. Nazarewicz , M. Rafalski , P. -G. Reinhard

Electromagnetic interactions serve as essential probes for studying and testing our understanding of the atomic nucleus, as they reveal emergent properties across the nuclear chart. We analyse their corresponding observables, which relate…

Nuclear Theory · Physics 2026-05-13 J. Dobaczewski , B. C. Backes , R. P. de Groote , A. Restrepo-Giraldo , X. Sun , H. Wibowo

A model system is proposed to investigate the chemical equilibrium and mechanical stability of biological spherical-like nanoshells in contact with an aqueous solution with added dissociated electrolyte of a given concentration. The ionic…

Soft Condensed Matter · Physics 2020-02-06 Thiago Colla , Amin Bakhshandeh , Yan Levin

We present the results of the application of a nuclear potential consisting of two- and three-nucleon contact interactions in nuclear structure investigations. The nuclear Hamiltonian has been derived for a very low-energy regime within the…

Nuclear Theory · Physics 2025-11-25 Songlin Lyu , Francesco Amodio , Giovanni De Gregorio , Nunzio Itaco , Luigi Coraggio

Accurate knowledge of the nuclear level density is important both from a theoretical viewpoint as a powerful instrument for studying nuclear structure and for numerous applications. For example, astrophysical reactions responsible for the…

Nuclear Theory · Physics 2017-10-10 S. Karampagia , R. A. Senkov , V. Zelevinsky

We present a theoretical framework based on an extension of dynamical density functional theory (DDFT) for describing the structure and dynamics of cells in living tissues and tumours. DDFT is a microscopic statistical mechanical theory for…

Soft Condensed Matter · Physics 2018-09-03 Hayder M. Al-Saedi , Andrew J. Archer , John Ward

The nuclear $\alpha$ decay of heavy nuclei is investigated based on the nuclear energy density functional, which leads to the $\alpha$ potential inside the parent nucleus in terms of the proton and neutron density profiles of the daughter…

Nuclear Theory · Physics 2017-03-22 Yeunhwan Lim , Yongseok Oh

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

The knowledge of the nuclear level density is necessary for understanding various reactions including those in the stellar environment. Usually the combinatorics of Fermi-gas plus pairing is used for finding the level density. Recently a…

Nuclear Theory · Physics 2016-06-22 Roman Sen'kov , Vladimir Zelevinsky

We obtained a density-dependent analytical expression of binding energy per nucleon for different neutron-proton asymmetry of the nuclear matter (NM) with a polynomial fitting, which manifests the results of effective field theory motivated…

Nuclear Theory · Physics 2021-02-03 Ankit Kumar , H. C. Das , Manpreet Kaur , M. Bhuyan , S. K. Patra

Density functional theory (DFT) is the de facto approach for predicting self-consistent-field electronic structures of ground-state configurations of complex atoms, molecules, and solids and providing their property data for materials…

Materials Science · Physics 2024-01-30 Zi-Kui Liu

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

Through ensemble learning with multitasking and complex connection neural networks, we aggregated nuclear properties, including ground state charge radii, binding energies, and single-particle state information obtained from the Kohn-Sham…

Nuclear Theory · Physics 2023-10-18 Zu-Xing Yang , Xiao-Hua Fan , Zhi-Pan Li , Haozhao Liang

Nuclear quantum effects are essential for correctly describing hydrogen-rich materials at high pressures. Superconducting hydrides and ice are prime examples of such systems, requiring the inclusion of lattice anharmonicity and nuclear…

We demonstrate for the first time that a functional-renormalization-group aided density-functional theory (FRG-DFT) describes well the characteristic features of the excited states as well as the ground state of an interacting many-body…

Nuclear Theory · Physics 2019-03-08 Takeru Yokota , Kenichi Yoshida , Teiji Kunihiro

Stochastic and mixed stochastic-deterministic density functional theory (DFT) are promising new approaches for the calculation of the equation-of-state and transport properties in materials under extreme conditions. In the intermediate warm…

Computational Physics · Physics 2023-09-27 Vidushi Sharma , Lee A. Collins , Alexander J. White

Kohn-Sham density functional theory (KS-DFT) is a powerful method to obtain key materials' properties, but the iterative solution of the KS equations is a numerically intensive task, which limits its application to complex systems. To…

Materials Science · Physics 2023-05-29 Bruno Focassio , Michelangelo Domina , Urvesh Patil , Adalberto Fazzio , Stefano Sanvito
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