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Background: [elided for arXiv character count] Purpose: With the advancement of computational power it is now possible to undertake TDHF calculations without any symmetry assumptions and incorporate the major strides made by the nuclear…

Nuclear Theory · Physics 2016-06-22 P. D. Stevenson , E. B. Suckling , S. Fracasso , M. C. Barton , A. S. Umar

Representation learning for the electronic structure problem is a major challenge of machine learning in computational condensed matter and materials physics. Within quantum mechanical first principles approaches, Kohn-Sham density…

Materials Science · Physics 2024-04-24 Bowen Hou , Jinyuan Wu , Diana Y. Qiu

Density functional theory (DFT) calculation has had huge success as a tool capable of predicting important physical and chemical properties of condensed matter systems. We calculate the electric dipole moment of a molecule by using the…

Chemical Physics · Physics 2019-03-12 Byeong June Min

A new Skyrme-like energy density suitable for studies of strongly elongated nuclei has been determined in the framework of the Hartree-Fock-Bogoliubov theory using the recently developed model-based, derivative-free optimization algorithm…

We present a theoretical framework to quantify statistical uncertainties in covariant density functional theory (CDFT) for both nuclear matter and finite nuclei, based on a relativistic point-coupling energy density functional (EDF). By…

Nuclear Theory · Physics 2026-04-10 X. Zhang , C. C. Wang , C. R. Ding , J. M. Yao

Density functional theory (DFT) has emerged as one of the most versatile and lucrative approaches in electronic structure calculations of many-electron systems in past four decades. Here we give an account of the development of a…

Chemical Physics · Physics 2019-04-19 Abhisek Ghosal , Amlan K. Roy

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

This paper discusses modern methods for estimating the moments of inertia of fragments formed during forced fission of the isotopes 232Th(n,f) and 238U(n,f). The study analyzes two fundamental approaches -- statistical and microscopic.…

A rapidly converging 4-dimensional Fourier shape parametrization is used to model the fission process of heavy nuclei. Potential energy landscapes are computed within the macroscopic-microscopic approach, on top of which the…

The deformation of heavy nuclei leaves characteristic imprints on the initial conditions of relativistic heavy-ion collisions. However, event-by-event fluctuations make the quantitative extraction of this information challenging. This study…

Nuclear Theory · Physics 2026-03-31 Jun-Qi Tao , Yang Liu , Yu Sha , Xiang Fan , Yan-Sheng Tu , Kai Zhou , Hua Zheng , Ben-Wei Zhang

We develop a method combining machine learning (ML) and density functional theory (DFT) to predict low-energy polymorphs by introducing physics-guided descriptors based on structural distortion modes. We systematically generate crystal…

Materials Science · Physics 2022-09-07 Bastien F. Grosso , Nicola A. Spaldin , Aria Mansouri Tehrani

Background: Nuclear fission is a complex large-amplitude collective decay mode in heavy nuclei. Microscopic density functional studies of fission have previously concentrated on adiabatic approaches based on constrained static calculations…

Nuclear Theory · Physics 2016-02-03 P. M. Goddard , P. D. Stevenson , A. Rios

The current generation of covariant mean-field models has had many successes in calculations of bulk observables for medium to heavy nuclei, but there remain many open questions. New challenges are confronted when trying to systematically…

Nuclear Theory · Physics 2017-01-25 R. J. Furnstahl

We propose a neural-network-based variational framework for nuclear Density Functional Theory based on the extended Thomas--Fermi (ETF) model, in which proton and neutron number densities are represented by multilayer perceptrons and…

Nuclear Theory · Physics 2026-05-12 Kenta Yoshimura

Density functional theory is a preferred microscopic method for calculation of nuclear properties over the whole nuclear chart. Besides ground-state properties, which are calculated by Hartree-Fock theory, nuclear excitations can be…

Nuclear Theory · Physics 2020-06-02 Anton Repko

This article reviews how nuclear fission is described within nuclear density functional theory. In spontaneous fission, half-lives are the main observables and quantum tunnelling the essential concept, while in induced fission the focus is…

Nuclear Theory · Physics 2018-02-21 N. Schunck , L. M. Robledo

When multiple fission modes coexist in a given nucleus, distinct fragment yield distributions appear. Multimodal fission has been observed in a number of fissioning nuclei spanning the nuclear chart, and this phenomenon is expected to…

Predictions of nuclear properties far from measured data are inherently imprecise because of uncertainties in our knowledge of nuclear forces and in our treatment of quantum many-body effects in strongly-interacting systems. While the model…

Nuclear Theory · Physics 2022-09-14 Rodrigo Navarro Perez , Nicolas Schunck

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

Deep networks for image classification often rely more on texture information than object shape. While efforts have been made to make deep-models shape-aware, it is often difficult to make such models simple, interpretable, or rooted in…

Computer Vision and Pattern Recognition · Computer Science 2023-05-24 Rajhans Singh , Ankita Shukla , Pavan Turaga