Related papers: Structure properties of even-even actinides
I propose a simple and manageable method that allows for deriving coupling constants of model energy density functionals (EDFs) directly from ab initio calculations performed for finite fermion systems. A proof-of-principle application…
The properties of crystals consisting of several components can be widely tuned. Often solid solutions are produced, where substitutional or interstitional disorder determines the crystal thermodynamic and mechanical properties. The…
We give an algebraic characterization of the possible characteristic tensors of an infinitesimally homogeneous affine manifold with G-structure.
The ground state configurations and the \lq{}\lq{}normal\rq{}\rq{} mode spectra of a $quasi$-one-dimensional (Q1D) binary system of charged particles interacting through a screened Coulomb potential are presented. The minimum energy…
By fitting to a database of ab-initio forces and energies, we can extract pair potentials for alloys, with a simple six-parameter analytic form including Friedel oscillations, which give a remarkably faithful account of many complex…
We have done systematic Hartree-Fock-Bogoliubov calculations in coordinate space on the one-quasi-particle energies and binding energy odd-even staggering (OES) in semi-magic nuclei with the zero-range volume, mixed and surface pairing…
Context Mixed-metal clusters have long been studied because of their peculiar properties and how they change with cluster size, composition and charge state and their potential roles in catalysis. The characterization of these clusters is…
Using full potential density functional theory calculations we have investigated the structural and electronic properties of graphene and some other graphene-like materials, viz., monolayer of SiC, GeC, BN, AlN, GaN, ZnO, ZnS and ZnSe. We…
Two fits of the pairing residual interaction in the rare-earth region are independently performed. One is made on the odd-even staggering of masses by comparing measured and explicitly calculated three-point binding-energy differences…
This work is concerned with the construction and analysis of structure-preserving Galerkin methods for computing the dynamics of rotating Bose-Einstein condensate (BEC) based on the Gross-Pitaevskii equation with angular momentum rotation.…
Background: Fission barriers of actinide nuclei have been mostly and for long been microscopi- cally calculated for even-even fissioning systems. Calculations in the case of odd nuclei have been performed merely within a so-called…
Two-component systems consisting of mutually interacting particles can demonstrate both intracomponent transport effects and intercomponent entrainment (or drag) effects. In the presence of superfluidity, the intracomponent transport is…
This work is aimed at the multi-configuration Hartree-Fock calculations of the 6s ionization energies of lanthanides with configurations [Xe]4f^{N}6s^{2}. Authors have used the ATSP MCHF version in which there are new codes for calculation…
The one-body density matrix is derived within the Extended Thomas-Fermi approximation. This has been done starting from the Wigner-Kirkwood distribution function for a non-local single-particle potential. The links between this new approach…
We have applied the quantal hypernetted-chain equations in combination with the Rosenfeld bridge-functional to calculate the atomic and the electronic structure of compressed liquid-rubidium under high pressure (0.2, 2.5, 3.9, and 6.1 GPa);…
Nuclear fission dynamics described within nuclear energy density functional frameworks (EDF) have seen substantial advances in the last decade. Part of this success stems from projection techniques, which allow the computation f probability…
We present a second-order accurate method to include arbitrary distributions of force densities in the lattice Boltzmann formulation of hydrodynamics. Our method may be used to represent singular force densities arising either from…
The Dirac-Hartree-Fock plus many-body perturbation theory (DHF+MBPT) method has been used to calculate hyperfine structure constants for Fr. Calculated hyperfine structure anomaly for hydrogen-like ion has been shown to be in good agreement…
In this work we test the validity of a Hartree-Fock plus Bardeen-Cooper-Schrieffer model in which a finite-range interaction is used in the two steps of the calculation by comparing the results obtained to those found in a fully…
We investigate the superconductivity of carbon compounds with a sodalite structure, which are similar to hydrogen compounds showing the high-temperature superconductivity. A systematic analysis by first-principles calculations is carried…