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Microscopic methods and tools to describe nuclear dynamics have considerably been improved in the past few years. They are based on the time-dependent Hartree-Fock (TDHF) theory and its extensions to include pairing correlations and quantum…

Nuclear Theory · Physics 2018-09-13 C. Simenel , A. S. Umar

These lectures give an overview of the ongoing application of effective field theory (EFT) and renormalization group (RG) concepts and methods to density functional theory (DFT), with special emphasis on the nuclear many-body problem.

Nuclear Theory · Physics 2015-06-26 R. J. Furnstahl

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

Nuclear physics is ideal to test and develop techniques to describe the microscopic dynamics of quantum many-body systems. At low energy, nuclear dynamics is described with non-relativistic approaches based on the mean-field approximation…

Nuclear Theory · Physics 2023-02-10 Cedric Simenel

Simulating electrochemical interfaces using density functional theory (DFT) requires incorporating the effects of electrochemical potential. The electrochemical potential acts as a new degree of freedom that can effectively tune DFT results…

Chemical Physics · Physics 2026-02-10 Mouyi Weng , Nicéphore Bonnet , Oliviero Andreussi , Nicola Marzari

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

The task of deducing three-dimensional molecular configurations from their two-dimensional graph representations holds paramount importance in the fields of computational chemistry and pharmaceutical development. The rapid advancement of…

Biomolecules · Quantitative Biology 2025-01-09 Bobin Yang , Jie Deng , Zhenghan Chen , Ruoxue Wu

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

Subsystem Density-Functional Theory (DFT) is an emerging technique for calculating the electronic structure of complex molecular and condensed phase systems. In this topical review, we focus on some recent advances in this field related to…

Chemical Physics · Physics 2015-06-24 Alisa Krishtal , Debalina Sinha , Alessandro Genova , Michele Pavanello

Current models of inter-nucleon interactions are built within the frame of Effective Field Theories (EFTs). Contrary to traditional nuclear potentials, EFT interactions require a renormalization of their parameters in order to derive…

Nuclear Theory · Physics 2020-05-19 Mehdi Drissi , Thomas Duguet , Vittorio Soma

From the lightest Hydrogen isotopes up to the recently synthesized Oganesson (Z=118), it is estimated that as many as about 3000 atomic nuclei could exist in nature. Most of these nuclei are too short-lived to be occurring on Earth, but…

We propose a new molecular simulation framework that combines the transferability, robustness and chemical flexibility of an ab initio method with the accuracy and efficiency of a machine learned force field. The key to achieve this mix is…

Computational Physics · Physics 2020-01-08 Sebastian Dick , Marivi Fernandez-Serra

The nuclear time-dependent density functional theory (TDDFT) is a tool of choice for describing various dynamical phenomena in atomic nuclei. In a recent study, we reported an extension of the framework - the multiconfigurational TDDFT…

Nuclear Theory · Physics 2024-01-24 Petar Marević , David Regnier , Denis Lacroix

Time-dependent Hartree-Fock (TDHF) theory has been a powerful tool in describing a variety of complex nuclear dynamics microscopically without empirical parameters. In this contribution, recent advances in nuclear dynamics studies with TDHF…

Nuclear Theory · Physics 2019-03-26 Kazuyuki Sekizawa

There is no microscopic quantum approach based on the many-body time-dependent Schr\"{o}dinger equation which capable to describe the formation and the evolution of a compound nucleus. The most advanced microscopic approach developed so far…

Nuclear Theory · Physics 2026-05-04 Matthew Kafker , Aurel Bulgac

Superfluidity is a generic feature of various quantum systems at low temperatures and it is in particular important for the description of dynamics of low energy nuclear reactions. The time-dependent density functional theory (TDDFT) is, to…

Nuclear Theory · Physics 2020-07-15 M. C. Barton , S. Jin , P. Magierski , K. Sekizawa , G. Wlazłowski , A. Bulgac

To accurately predict the synthesis cross-sections of superheavy elements, identifying the optimal projectile-target combinations and the evaporation channels at specific collision energies, we have attempted to utilize high-quality…

Nuclear Theory · Physics 2024-05-15 Peng-Hui Chen , Chang Geng , Fei Niu , Zu-Xing Yang , Xiang-Hua Zeng , Zhao-Qing Feng

We present the first successful functional renormalization group(FRG)-aided density-functional (DFT) calculation of the equation of state (EOS) of an infinite nuclear matter (NM) in (1+1)-dimensions composed of spinless nucleons. We give a…

Nuclear Theory · Physics 2019-02-06 Takeru Yokota , Kenichi Yoshida , Teiji Kunihiro

We discuss possible avenues to study fission dynamics starting from a time-dependent mean-field approach. Previous attempts to study fission dynamics using the time-dependent Hartree-Fock (TDHF) theory are analyzed. We argue that different…

Nuclear Theory · Physics 2015-05-18 A. S. Umar , V. E. Oberacker , J. A. Maruhn , P. -G. Reinhard

Effective field theory (EFT) methods are applied to density functional theory (DFT) as part of a program to systematically go beyond mean-field approaches to medium and heavy nuclei. A system of fermions with short-range, natural…

Nuclear Theory · Physics 2007-05-23 S. J. Puglia , A. Bhattacharyya , R. J. Furnstahl