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Density functional theory (DFT) provides convenient electronic structure methods for the study of molecular systems and materials. Regular Kohn-Sham DFT calculations rely on unitary transformations to determine the ground-state electronic…

Chemical Physics · Physics 2022-10-10 Greta Jacobson , Juan M. Marmolejo-Tejada , Martín A. Mosquera

While providing a highly accurate framework for simulating laser-induced many-electron dynamics in atom and molecules, including linear and nonlinear steady-state and transient absorption spectra, time-dependent coupled-cluster theory does…

Nuclear structure models built from phenomenological mean fields, the effective nucleon-nucleon interactions (or Lagrangians), and the realistic bare nucleon-nucleon interactions are reviewed. The success of covariant density functional…

Nuclear Theory · Physics 2019-10-14 Shihang Shen , Haozhao Liang , Wen Hui Long , Jie Meng , Peter Ring

Time dependent quantum systems are the subject of intense inquiry, in mathematics, science, and engineering, particularly at the atomic and molecular levels. In 1984, Runge and Gross introduced time dependent density functional theory…

Analysis of PDEs · Mathematics 2021-02-24 Joseph W. Jerome

Two major recent developments in theory and computational resources created the favorable conditions for achieving a microscopic description of nuclear fission almost eighty years after its discovery in 1939 by Hahn and Strassmann (1930).…

Nuclear Theory · Physics 2017-12-11 A. Bulgac , S. Jin , P. Magierski , K. Roche , N. Schunck , I. Stetcu

The appearance of the strongly interacting matter mixed phase (MP)has been suggested to consider to understand qualitatively the regime change existence in the behavior of some centrality depending characteristics of events. The MP has been…

High Energy Physics - Experiment · Physics 2007-05-23 O. B. Abdinov , A. Kravcakova , A. A. Kuznetsov , M. K. Suleymanov , A. S. Vodopianov , S. Vokal

The effects of cluster correlations have been studied in the $^{12}$C + $^{12}$C reaction at 50 MeV/nucleon, using three AMD models, the AMD (AMD/D) without any additional cluster correlations, AMD/D-COALS with nucleon correlations based on…

Nuclear Theory · Physics 2020-11-20 R. Han , Z. Chen , R. Wada , A. Ono , G. Tian , F. Shi , X. Zhang , B. Liu , H. Sun

To examine the applicability of the time-dependent density-functional theory (TDDFT) for treating the electron-nucleus coupling in excited states, we calculate the strength distribution associated with the pi-pi* transition in ethylene. The…

Chemical Physics · Physics 2007-05-23 G. F. Bertsch , J. Giansiracusa , K. Yabana

We study clustering of inertial particles in turbulent flows and discuss its applications to dust particles in protoplanetary disks. Using numerical simulations, we compute the radial distribution function (RDF), which measures the…

Earth and Planetary Astrophysics · Physics 2015-05-28 Liubin Pan , Paolo Padoan , John Scalo , Alexei G. Kritsuk , Michael L. Norman

We investigate nuclear matter at finite temperature and density, including the formation of light clusters up to the alpha particle The novel feature of this work is to include the formation of clusters as well as their dissolution due to…

Nuclear Theory · Physics 2010-04-06 S. Typel , G. Röpke , T. Klähn , D. Blaschke , H. H. Wolter

Using the improved string-melting version of a Multi-Phase Transport model, we investigated the impact of nuclear geometry of $^{16}$O on anisotropic flows in O+O collisions at $\sqrt{s_{\rm NN}} = 200$ GeV. To evaluate the influence of…

Nuclear Theory · Physics 2026-02-24 Xin-Li Zhao , You Zhou , Zi-Wei Lin , Chao Zhang , Guo-Liang Ma

Plasmonic nanocavities are a promising platform for strong light-matter coupling and enhanced spectroscopies at the single-molecule level. These nanoscale environments are challenging to model due to their strongly multimodal character and…

Chemical Physics · Physics 2026-03-16 Jonathan H. Fetherolf , Tao E. Li , Sharon Hammes-Schiffer

The framework of nuclear energy density functionals is applied to a study of the formation and evolution of cluster states in nuclei. The relativistic functional DD-ME2 is used in triaxial and reflection-asymmetric relativistic…

Nuclear Theory · Physics 2015-06-19 J. P. Ebran , E. Khan , T. Niksic , D. Vretenar

The application of methods of time-dependent density functional theory (TDDFT) to systems of qubits provided the interesting possibility of simulating an assigned Hamiltonian evolution by means of an auxiliary Hamiltonian having different…

Quantum Physics · Physics 2012-03-08 Diego de Falco , Dario Tamascelli

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

Prediction of the stable crystal structure for multinary (ternary or higher) compounds with unexplored compositions demands fast and accurate evaluation of free energies in exploring the vast configurational space. The machine-learning…

Computational Physics · Physics 2021-01-04 Changho Hong , Jeong Min Choi , Wonseok Jeong , Sungwoo Kang , Suyeon Ju , Kyeongpung Lee , Jisu Jung , Yong Youn , Seungwu Han

This review is based on lectures given by the author at the Enrico Fermi Summer School in Varenna. It presents the basics of Density Functional Theory (DFT) for Fermi superfluids, with particular emphasis on nuclear systems. Special…

Superconductivity · Physics 2025-10-10 Piotr Magierski

We use high-resolution Hubble Space Telescope imaging data of dwarf galaxies in the Local Volume ($\lesssim 11$ Mpc) to parameterise 19 newly discovered nuclear star clusters (NSCs). Most of the clusters have stellar masses of…

Astrophysics of Galaxies · Physics 2023-02-01 Nils Hoyer , Nadine Neumayer , Anil C. Seth , Iskren Y. Georgiev , Jenny E. Greene

We revisit recent developments in the theoretical foundations of time-dependent density functional theory (TDDFT). TDDFT is then applied to the calculation of total cross sections for ionization processes in the antiproton-Helium collision…

Atomic Physics · Physics 2011-03-28 N. Henkel , M. Keim , H. J. Lüdde , T. Kirchner

We present a formulation of spin-conserving and spin-flip, hybrid time-dependent density functional theory (TDDFT), including the calculation of analytical forces, which allows for efficient calculations of excited state properties of…

Materials Science · Physics 2023-12-05 Yu Jin , Victor Wen-zhe Yu , Marco Govoni , Andrew C Xu , Giulia Galli
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