Related papers: Particle-Number Restoration within the Energy Dens…
We study 1S0 pairing gaps in neutron and nuclear matter as well as in finite nuclei on the basis of microscopic two-nucleon interactions. Special attention is paid to the consistency of the pairing interaction and normal self-energy…
For the theoretical understanding of the reactivity of complex chemical systems accurate relative energies between intermediates and transition states are required. Despite its popularity, density functional theory (DFT) often fails to…
Variation after particle-number restoration is incorporated for the first time into the Hartree-Fock-Bogoliubov framework employing the Skyrme energy density functional with zero-range pairing. The resulting projected HFB equations can be…
By adding a non-linear core correction to the well established Dual Space Gaussian type pseudopotentials for the chemical elements up to the third period, we construct improved pseudopotentials for the Perdew Burke Ernzerhof (PBE)…
Based on the basic definition of Fermi energy of degenerate and relativistic electrons, we obtain a special solution to electron Fermi energy, $E_{\rm F}(e)$, and express $E_{\rm F}(e)$ as a function of electron fraction, $Y_{e}$, and…
The package fhi98PP allows one to generate norm-conserving pseudopotentials adapted to density-functional theory total-energy calculations for a multitude of elements throughout the periodic table, including first-row and transition metal…
It is well-known that the traditional treatment of radiative corrections that utilizes the "true" neutrino momentum $\vec{p}_\nu$ in the differential decay rate formula could lead to a $\sim \alpha/\pi$ systematic error in certain…
We propose an alternative formulation of Many-Body Perturbation Theory that uses the density-functional concept. Instead of the usual four-point integral equation for the polarizability, we obtain a two-point one, that leads to excellent…
In this paper we propose and analyze an energy stable numerical scheme for the square phase field crystal (SPFC) equation, a gradient flow modeling crystal dynamics at the atomic scale in space but on diffusive scales in time. In…
Nuclear energy density functionals successfully reproduce properties of nuclei across almost the entire nuclear chart. However, nearly all available functionals are phenomenological in nature and lack a rigorous connection to systematically…
While ab initio many-body techniques have been able to successfully describe the properties of light and intermediate mass nuclei based on chiral effective field theory interactions, neutron-rich nuclei still remain out of reach for these…
Building on the discussion in PRA 93, 042510 (2016), we present a systematic derivation of gradient corrections to the kinetic-energy functional and the one-particle density, in particular for two-dimensional systems. We derive the leading…
We explore the nuclear responses at intermediate energies, particularly in the spin longitudinal and spin transverse isovector channels, within the continuum random phase approximation framework. We also employ an extension of the standard…
The origin of the long-range memory in the non-equilibrium systems is still an open problem as the phenomenon can be reproduced using models based on Markov processes. In these cases a notion of spurious memory is introduced. A good example…
Background: The study of additional terms in functionals is relevant to better describe nuclear structure phenomenology. Among these terms, the tensor one is known to impact nuclear structure properties, especially in neutron-rich nuclei.…
Nucleon selfenergies and spectral functions are calculated at the saturation density of symmetric nuclear matter at finite temperatures. In particular, the behaviour of these quantities at temperatures above and close to the critical…
In this work we explore the fidelity of numerical approximations to the analytic spectra of hyperbolic partial differential equation systems with variable coefficients. We are particularly interested in the ability of discrete methods to…
The Perdew-Zunger(PZ) self-interaction correction (SIC) was designed to correct the one-electron limit of any approximate density functional for the exchange-correlation (xc) energy, while yielding no correction to the exact functional.…
We show spurious effects in perturbative calculations due to different orderings of inhomogeneous terms while computing corrections to Green functions for two different metrics. These effects are not carried over to physically measurable…
We explore the systematics of the density dependence of nuclear matter symmetry energy in the ambit of microscopic calculations with various energy density functionals, and find that the symmetry energy from subsaturation density to…