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Related papers: Density functional approaches to nuclear dynamics

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A configuration-interaction time-dependent density functional theory (CI-TDDFT) for nuclear dynamics is developed. In this framework, the correlated nuclear many-body wave function is expanded in terms of time-dependent many-particle…

Nuclear Theory · Physics 2026-05-21 Y. P. Wang , B. Li , D. Vretenar , T. Nikšić , P. W. Zhao , J. Meng

Density functional theory (DFT) provides a theoretical framework for efficient and fairly accurate calculations of the electronic structure of molecules and crystals. The main features of density functional theory are described and DFT…

Chemical Physics · Physics 2012-06-12 Hauke Paulsen , Alfred Xaver Trautwein

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

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

Time-dependent density-functional theory (TDDFT) is widely used to describe electronic excitations in complex finite systems with large numbers of atoms, such as biomolecules and nanocrystals. The first part of this paper will give a simple…

Materials Science · Physics 2008-08-15 C. A. Ullrich , V. Turkowski

Quantum many-body nuclear dynamics is treated at the mean-field level with the time-dependent Hartree-Fock (TDHF) theory. Low-lying and high-lying nuclear vibrations are studied using the linear response theory. The fusion mechanism is also…

Nuclear Theory · Physics 2014-02-05 C. Simenel , M. Dasgupta , D. J. Hinde , A. Kheifets , A. Wakhle

An extension of time-dependent density functional theory (TDDFT), the generalized time-dependent generator coordinate method (TDGCM), is applied to a study of induced nuclear fission dynamics. In the generalized TDGCM, the correlated…

Nuclear Theory · Physics 2025-04-11 B. Li , D. Vretenar , T. Nikši\' c , P. W. Zhao , J. Meng

Linear-response time-dependent (TD) density-functional theory (DFT) has been implemented in the pseudopotential wavelet-based electronic structure program BigDFT and results are compared against those obtained with the all-electron…

We carried out a simulation of heavy ion collision using a time-dependent density functional theory. We call it the canonical-basis time-dependent Hartree-Fock-Bogoliubov theory (Cb-TDHFB) which can describe nuclear dynamics in…

Nuclear Theory · Physics 2015-06-12 Shuichiro Ebata

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

We employ the time-dependent Hartree-Fock (TDHF) method to study various aspects of the reactions utilized in searches for superheavy elements. These include capture cross-sections, quasifission, prediction of $P_{\mathrm{CN}}$, and other…

Nuclear Theory · Physics 2016-04-12 A. S. Umar , V. E. Oberacker

The dynamics of low-energy induced fission is explored using a consistent microscopic framework that combines the time-dependent generator coordinate method (TDGCM) and time-dependent nuclear density functional theory (TDDFT). While the…

Nuclear Theory · Physics 2022-04-27 Z. X. Ren , J. Zhao , D. Vretenar , T. Niksic , P. W. Zhao , J. Meng

A new alternate method for evaluating linear response theory is formally developed, and results are presented. This method involves the time-evolution of the system using TDHF and is constructed directly on top of a static Hartree-Fock…

Nuclear Theory · Physics 2009-11-11 A. S. Umar , V. E. Oberacker

The development of systematic effective field theories (EFTs) for nuclear forces and advances in solving the nuclear many-body problem have greatly improved our understanding of dense nuclear matter and the structure of finite nuclei. For…

Nuclear Theory · Physics 2025-09-30 Brendan T. Reed , Matthias Heinz , Pierre Arthuis , Achim Schwenk , Ingo Tews

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

We demonstrate the capabilities of time-dependent density functional theory (TDDFT) for strong-field, short wavelength (soft X-ray) physics, as compared to a formalism based on rate equations. We find that TDDFT provides a very good…

The extension of the density functional theory (DFT) to include pairing correlations without formal violation of the particle-number conservation condition is described. This version of the theory can be considered as a foundation of the…

Nuclear Theory · Physics 2007-05-23 S. Krewald , V. B. Soubbotin , V. I. Tselyaev , X. Vinas

Basic issues of the time-dependent density-functional theory are discussed, especially on the real-time calculation of the linear response functions. Some remarks on the derivation of the time-dependent Kohn-Sham equations and on the…

Nuclear Theory · Physics 2017-01-06 Takashi Nakatsukasa

We demonstrate that the microscopic Time-dependent Hartree-Fock (TDHF) theory provides an important approach to shed light on the nuclear dynamics leading to the formation of superheavy elements. In particular, we discuss studying…

Nuclear Theory · Physics 2017-12-06 A. S. Umar , C. Simenel , S. Ayik

Density functional theory (DFT) underpins modern atomistic simulations of transition-metal surfaces. It can predict key properties linked to catalytic performance, such as adsorption energies and barrier heights, enabling new paradigms in…

Materials Science · Physics 2026-03-23 Benjamin X. Shi , Timothy C. Berkelbach