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We derive a zero-range pseudopotential that includes all possible terms up to sixth order in derivatives. Within the Hartree-Fock approximation, it gives the average energy that corresponds to a quasi-local nuclear Energy Density Functional…

Nuclear Theory · Physics 2011-06-06 F. Raimondi , B. G. Carlsson , J. Dobaczewski

Recently, a new parameterization of the Gogny interaction suitable for astrophysical applications, named D1M*, has been presented. We investigate the possible existence of spurious finite-size instabilities of this new Gogny force by…

Nuclear Theory · Physics 2019-10-09 M. Martini , A. De Pace , K. Bennaceur

This is a follow-up of our recently proposed work on pseudopotential calculation (Ref. [21]) of atoms and molecules within DFT framework, using cartesian coordinate grid. Detailed results are presented to demonstrate the usefulness,…

Chemical Physics · Physics 2015-05-18 Amlan K. Roy

[Background] Symmetry restoration and configuration mixing in the spirit of the generator coordinate method based on energy density functionals have become widely used techniques in low-energy nuclear structure physics. Recently, it has…

Nuclear Theory · Physics 2012-11-27 K. Washiyama , K. Bennaceur , B. Avez , M. Bender , P. -H. Heenen , V. Hellemans

We study the bulk deformation properties of the Skyrme nuclear energy density functionals. Following simple arguments based on the leptodermous expansion and liquid drop model, we apply the nuclear density functional theory to assess the…

Nuclear Theory · Physics 2011-03-22 N. Nikolov , N. Schunck , W. Nazarewicz , M. Bender , J. Pei

Structures of $p$- and $sd$-shell nuclei are studied with the deformed-basis antisymmetrized molecular dynamics method using the Gogny D1S and Skyrme SLy7 forces as effective interactions. By the energy variation with a constraint, energy…

Nuclear Theory · Physics 2009-06-25 Yasutaka Taniguchi , Yoshiko Kanada-En'yo , Masaaki Kimura

A complete discrete set of spherical single-particle wave functions for studies of weakly-bound many-body systems is proposed. The new basis is obtained by means of a local-scale point transformation of the spherical harmonic oscillator…

Nuclear Theory · Physics 2008-11-26 M. V. Stoitsov , W. Nazarewicz , S. Pittel

The spectroscopic quality of covariant density functional theory has been accessed by analyzing the accuracy and theoretical uncertainties in the description of spectroscopic observables. Such analysis is first presented for the energies of…

Nuclear Theory · Physics 2015-08-25 A. V. Afanasjev

Relativistic energy density functionals (EDF) have become a standard tool for nuclear structure calculations, providing a complete and accurate, global description of nuclear ground states and collective excitations. Guided by the medium…

Nuclear Theory · Physics 2015-05-27 Tamara Niksic , Dario Vretenar , Peter Ring

Nuclear density functional theory (DFT) is one of the main theoretical tools used to study the properties of heavy and superheavy elements, or to describe the structure of nuclei far from stability. While on-going efforts seek to better…

Nuclear Theory · Physics 2015-12-23 N. Schunck , J. D. McDonnell , D. Higdon , J. Sarich , S. M. Wild

We generate three families of extended covariant density functionals of nuclear matter that have varying slope of symmetry energy and skewness at nuclear saturation density, but otherwise share the same basic parameters (symmetry energy,…

Nuclear Theory · Physics 2024-01-09 Jia Jie Li , Armen Sedrakian

In spite of numerous scientific and practical applications, there is still no comprehensive theoretical description of the nuclear fission process based solely on protons, neutrons and their interactions. The most advanced simulations of…

Nuclear Theory · Physics 2025-10-29 N. Schunck , K. R. Quinlan , J. Bernstein

We investigate the deformation properties of atomic nuclei in a hadronic chiral SU_f(3) model approach. The parameters are fitted to hadron mass properties and adjustments for spherical finite nuclei have been performed. Using these…

Nuclear Theory · Physics 2009-11-07 S. Schramm

We scrutinize the accuracy of the pseudopotential approximation in density-functional theory (DFT) calculations of surfaces by systematically comparing to results obtained within a full-potential setup. As model system we choose the CO…

Materials Science · Physics 2007-05-23 Adam Kiejna , Georg Kresse , Jutta Rogal , Abir De Sarkar , Karsten Reuter , Matthias Scheffler

An improved prescription for choosing a transformed harmonic oscillator (THO) basis for use in configuration-space Hartree-Fock-Bogoliubov (HFB) calculations is presented. The new HFB+THO framework that follows accurately reproduces the…

Nuclear Theory · Physics 2011-05-12 M. V. Stoitsov , J. Dobaczewski , W. Nazarewicz , S. Pittel , D. J. Dean

Density functional theory (DFT) became a universal approach to compute ground-state and excited configurations of many-electron systems held together by an external one-body potential in condensed-matter, atomic, and molecular physics. At…

Nuclear Theory · Physics 2011-09-30 J. Dobaczewski

We survey approaches to nonrelativistic density functional theory (DFT) for nuclei using progress toward ab initio DFT for Coulomb systems as a guide. Ab initio DFT starts with a microscopic Hamiltonian and is naturally formulated using…

Nuclear Theory · Physics 2009-12-04 J. E. Drut , R. J. Furnstahl , L. Platter

We present solution of self-consistent equations for the N3LO nuclear energy density functional. We derive general expressions for the mean fields expressed as differential operators depending on densities and for the densities expressed in…

Nuclear Theory · Physics 2010-07-21 B. G. Carlsson , J. Dobaczewski , J. Toivanen , P. Vesely

Density-potential functional theory (DPFT) is an alternative formulation of orbital-free density functional theory that may be suitable for modeling the electronic structure of large systems. To date, DPFT has been applied mainly to quantum…

Materials Science · Physics 2023-04-21 Martin-Isbjörn Trappe , William C. Witt , Sergei Manzhos

We present a detailed study of the use of localized spherical-wave basis sets, first introduced in the context of linear-scaling, in first-principles density-functional calculations. Several parameters that control the completeness of this…

Chemical Physics · Physics 2018-07-25 Chee Kwan Gan , Peter David Haynes , M. C. Payne