Related papers: Microscopically-based energy density functionals f…
Background: [elided for arXiv character count] Purpose: With the advancement of computational power it is now possible to undertake TDHF calculations without any symmetry assumptions and incorporate the major strides made by the nuclear…
Static correlation error(SCE) inevitably emerges when a dissociation of a covalent bond is described with a conventional denstiy-functional theory (DFT) for electrons. SCE gives rise to a serious overshoot in the potential energy at the…
Recent analysis of the isospin diffusion data from heavy-ion collisions based on an isospin- and momentum-dependent transport model with in-medium nucleon-nucleon cross sections has led to the extraction of a value of $L=88\pm 25$ MeV for…
Following a previous paper [Y. Shi, Phys. Rev. C 98, 014329(2018)], we present an extension of the density-functional theory to allow for dynamic calculations based on the obtained static Hartree-Fock results. We perform extensive benchmark…
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…
We present a new Skyrme-Hartree-Fock-Bogoliubov nuclear-mass model in which the contact-pairing force is constructed from microscopic pairing gaps of symmetric nuclear matter and neutron matter calculated from realistic two- and three-body…
The recently proposed Symmetry-Conserving Energy Density Functional approach [G. Hupin, D. Lacroix and M. Bender, Phys. Rev. C84, 014309 (2011)] is applied to perform Variation After Projection onto good particle number using Skyrme…
Calculations for infinite nuclear matter with realistic nucleon-nucleon interactions suggest that the isoscalar effective mass of a nucleon at the saturation density, m*/m, equals 0.8 +/- 0.1. This result is at variance with empirical data…
We present a first-principles computational study of solid 4He at T=0K and pressures up to 160GPa. Our computational strategy consists in using van der Waals density functional theory (DFT-vdW) to describe the electronic degrees of freedom…
A new finite-range representation of the JLM effective nucleon-nucleon interaction is suggested based on the CDM3Y density dependent functional and M3Y-Paris interaction. The density dependence has been carefully adjusted at each energy so…
The magnetic dipole (M1) and the Gamow-Teller (GT) excitations of finite nuclei have been studied in a fully self-consistent Hartree-Fock (HF) plus random phase approximation (RPA) approach by using a Skyrme energy density functional with…
The nuclear time-dependent Hartree-Fock model formulated in the three-dimensional space,based on the full Skyrme energy density functional and complemented with the tensor force,is presented for the first time. Full self-consistency is…
Recent astronomical observations, nuclear-reaction experiments, and microscopic calculations have placed new constraints on the nuclear equation of state (EoS) and revealed that most nuclear structure models fail to satisfy those…
Using an energy density functional (EDF) based on the thermodynamic Gibbs-Duhem relation, found equivalent to the standard Skyrme EDF for infinite nuclear matter, it is demonstrated that the parameters of this EDF are not uniquely…
The self-energy of the Dirac Brueckner-Hartree-Fock calculation in nuclear matter is parametrized by introducing density-dependent coupling constants of isoscalar mesons in the relativistic Hartree-Fock (RHF) approach where isoscalar meson…
We present an accurate, efficient and massively parallel finite-element code, DFT-FE, for large-scale ab-initio calculations (reaching $\sim 100,000$ electrons) using Kohn-Sham density functional theory (DFT). DFT-FE is based on a local…
We present an accurate local density-functional for electronic-structure calculations within the density functional theory (DFT). The functional is derived by analyzing the structure of the standard perturbative expansion of the correlation…
we use the nuclear proximity potential obtained recently for the Skyrme nucleus-nucleus interaction in the semiclassical extended Thomas Fermi (ETF) approach using Skyrme energy density formalism (SEDF) under frozen-density…
We extend density-matrix expansions in nuclei to higher orders in derivatives of densities and test their convergence properties. The expansions allow for converting the interaction energies characteristic to finite- and short-range nuclear…
By partitioning the electron density into subsystem contributions, the Frozen Density Embedding (FDE) formulation of subsystem DFT has recently emerged as a powerful tool for reducing the computational scaling of Kohn--Sham DFT. To date,…