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External non-uniform magnetic fields acting on molecules induce non-collinear spin-densities and spin-symmetry breaking. This necessitates a general two-component Pauli spinor representation. In this paper, we report the implementation of a…

Chemical Physics · Physics 2018-05-23 Sangita Sen , Erik I. Tellgren

These lecture notes are addressed to PhD student and/or researchers who want a general overview of microscopic approaches based on mean-field and applied to nuclear dynamics. Our goal is to provide a good description of low energy heavy-ion…

Nuclear Theory · Physics 2009-04-20 Cédric Simenel , Benoît Avez , Denis Lacroix

We perform a systematic analysis of the density dependence of the nuclear symmetry energy within the microscopic Brueckner--Hartree--Fock (BHF) approach using the realistic Argonne V18 nucleon-nucleon potential plus a phenomenological three…

Nuclear Theory · Physics 2009-11-02 Isaac Vidana , Constanca Providencia , Artur Polls , Arnau Rios

The Born-Oppenheimer (BO) approximation is less accurate in the presence of a strong magnetic field than in the absence of a field. This is due to the complicated and unpredictable response of electronic structure to the field, especially…

Chemical Physics · Physics 2023-03-29 Tanner Culpitt , Laurens D. M. Peters , Erik I. Tellgren , Trygve Helgaker

We have investigated the evolution of the shell structure of nuclei in going from the r-process path to the neutron drip line within the framework of the Relativistic Hartree-Bogoliubov (RHB) theory. By introducing the quartic self-coupling…

Nuclear Theory · Physics 2009-11-07 M. M. Sharma , A. R. Farhan

Incorporating nuclear shell effects within the framework of orbital-free density functional theory (DFT) has remained a longstanding challenge in nuclear physics. While the Hohenberg-Kohn theorem formally guarantees the existence of an…

Nuclear Theory · Physics 2026-03-03 Xinhui Wu , Gianluca Colò , Kouichi Hagino , Pengwei Zhao

We study proton-neutron pairing correlations within the Hartree-Fock-Bogoliubov (HFB) framework using Gogny-type energy density functionals. By allowing for proton-neutron mixing in the quasi-particle transformation, both isovector ($T=1$)…

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

Neutron drops confined in an external field are studied in the framework of relativistic Brueckner-Hartree-Fock theory using the bare nucleon-nucleon interaction. The ground state energies and radii of neutron drops with even numbers from…

Nuclear Theory · Physics 2018-05-15 Shihang Shen , Haozhao Liang , Jie Meng , Peter Ring , Shuangquan Zhang

The cranked relativistic Hartree+Bogoliubov theory has been applied for a systematic study of the nuclei around 254No, the heaviest elements for which detailed spectroscopic data are available. The deformation, rotational response, pairing…

Nuclear Theory · Physics 2009-11-10 A. V. Afanasjev , T. L. Khoo , S. Frauendorf , G. A. Lalazissis , I. Ahmad

The evolution of nuclear shell structure is investigated for the first time within density-dependent relativistic Hartree-Fock theory and the role of $\pi$-exchange potential is studied in detail. The energy differences between the neutron…

Nuclear Theory · Physics 2008-11-26 Wen Hui Long , Hiroyuki Sagawa , Jie Meng , Nguyen Van Giai

We investigate the one-body dissipation dynamics in heavy-ion collisions of $^{16}{\rm O}$+$^{16}{\rm O}$ using a fully three-dimensional time-dependent Hartree-Fock (TDHF) theory with the modern Skyrme energy functional and without any…

Nuclear Theory · Physics 2015-06-23 Gao-Feng Dai , Lu Guo , En-Guang Zhao , Shan-Gui Zhou

Adopting the density dependent relativistic mean-field (RMF) and relativistic Hartree-Fock (RHF) approaches, the properties of the nuclear fourth-order symmetry energy $S_4$ are studied within the covariant density functional (CDF) theory.…

Nuclear Theory · Physics 2018-02-12 Zhi Wei Liu , Zhuang Qian , Ruo Yu Xing , Jia Rui Niu , Bao Yuan Sun

We perform a systematic shell-model and mean-field study of fully-aligned, high-spin f_{7/2}^{n} seniority isomers and d_{3/2}^{-1} f_{7/2}^{n+1} intruder states in the A~44 nuclei from the lower-fp shell. The shell-model calculations are…

Nuclear Theory · Physics 2009-11-11 G. Stoitcheva , W. Satula , W. Nazarewicz , D. J. Dean , M. Zalewski , H. Zdunczuk

Density functional theory (DFT) can run into serious difficulties with localized states in elements such as transition metals with occupied-d states and oxygen. In contrast, Hartree-Fock (HF) method can be a better approach for such…

Materials Science · Physics 2018-08-01 Hengxin Tan , Yuanchang Li , S. B. Zhang , Wenhui Duan

We study the role of non-locality of exchange in a neutral zigzag graphene nanoribbon within the $\pi$-orbital unrestricted Hartree-Fock approximation. Within this theory we find that the magnetic features are further stabilized for both…

Mesoscale and Nanoscale Physics · Physics 2011-04-18 Jeil Jung

A systematic investigation of even-even superheavy elements in the region of proton numbers $100 \leq Z \leq 130$ and in the region of neutron numbers from the proton-drip line up to neutron number $N=196$ is presented. For this study we…

Nuclear Theory · Physics 2016-04-27 S. E. Agbemava , A. V. Afanasjev , T. Nakatsukasa , P. Ring

Relativistic Brueckner-Hartree-Fock (RBHF) theory in the full Dirac space allows one to determine uniquely the momentum dependence of scalar and vector components of the single-particle potentials. In order to extend this new method from…

Nuclear Theory · Physics 2023-03-15 Hui Tong , Jing Gao , Chencan Wang , Sibo Wang

The shell structure of even-even isotopes in Si, S, Ar and Ca has been analysed. The theoretical calculations of shell closure parameter $D_{n} (N)$ and the differential variation of the two-neutron separation energy $dS_{2n} (Z, N )$ are…

Nuclear Theory · Physics 2020-07-15 Virender Thakur , Pankaj Kumar , Suman Thakur , Smriti Thakur , Vikesh Kumar , Shashi K Dhiman

The multiconfiguration time-dependent Hartree-Fock (MCTDHF) method is formulated for treating the coupled electronic and nuclear dynamics of diatomic molecules without the Born- Oppenheimer approximation. The method treats the full…

Computational Physics · Physics 2015-05-27 Daniel J. Haxton , Keith V. Lawler , C. William McCurdy