Related papers: Microscopically-based energy density functionals f…
We demonstrate the existence of different density-density functionals designed to retain selected properties of the many-body ground state in a non-interacting solution starting from the standard density functional theory ground state. We…
A recently proposed linear-scaling scheme for density-functional pseudopotential calculations is described in detail. The method is based on a formulation of density functional theory in which the ground state energy is determined by…
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…
Three-nucleon force (3NF) plays an important role in understanding the structure of finite nuclei and the saturation properties of infinite nuclear matter. The chiral 3NF derived from the chiral effective field theory has been successful in…
The density functional theory of nuclear structure provides a many-particle wave function that is useful for static properties, but an extension of the theory is necessary to describe correlation effects or other dynamic properties. Here we…
Large-scale computations of fission properties are an important ingredient for nuclear reaction network calculations simulating rapid neutron-capture process (the r process) nucleosynthesis. Due to the large number of fissioning nuclei…
We derive a microscopic optical potential for intermediate energies using ab initio translationally invariant nonlocal one-body nuclear densities computed within the no-core shell model (NCSM) approach utilizing two- and three-nucleon…
The construction of meta generalized gradient approximations based on the density matrix expansion (DME) is considered as one of the most accurate technique to design semilocal exchange energy functionals in two-dimensional density…
We develop a technique for generating a set of optimized local basis functions to solve models in the Kohn-Sham density functional theory for both insulating and metallic systems. The optimized local basis functions are obtained by solving…
A new scheme to study the properties of finite nuclei is proposed based on the Dirac-Brueckner-Hartree-Fock (DBHF) approach starting from a bare nucleon-nucleon interaction. The relativistic structure of the nucleon self-energies in nuclear…
Kohn-Sham density functional theory is the base of modern computational approaches to electronic structures. Their accuracy vitally relies on the exchange-correlation energy functional, which encapsulates electron-electron interaction…
The phenomenological Skyrme energy density functional theory is one of the most popular theories for dealing with finite nuclei and infinite nuclear matter, including neutron star matter. However, the density dependence of the effective…
Nonlocal coordinate space optical potentials for the scattering of 65 MeV protons from nuclei ranging in mass from 6Li to 238U have been defined by folding a complex, medium dependent effective interaction with the density matrix elements…
We review the nuclear forces currently in use, i.e., the high-precision NN potentials of the 1990's and the nuclear two- and many-body forces based upon chiral effective field theory (EFT). We argue that the EFT approach is superior to any…
Density functional theory (DFT) is routinely employed in material science and in quantum chemistry to simulate weakly correlated electronic systems. Recently, deep learning (DL) techniques have been adopted to develop promising functionals…
Calculating microscopic optical potentials for elastic nucleon-nucleus scattering has already led to large body of work in the past. For folding first-order calculations the nucleon-nucleon (NN) interaction and the one-body density of the…
Static and dynamic aspects of the fission process of $^{226}$Th are analyzed in a self-consistent framework based on relativistic energy density functionals. Constrained relativistic mean-field (RMF) calculations in the collective space of…
Since the seminal works of Thomas and Fermi, researchers in the Density-Functional Theory (DFT) community are searching for accurate electron density functionals. Arguably, the toughest functional to approximate is the noninteracting…
The determination of nucleus-nucleus potentials is important not only to describe the properties of the colliding system, but also to extract nuclear-structure information and for modelling nuclear reactions for astrophysics. We present the…
Recently, we introduced (e-print arXiv:1407.7128) {\em local reduced density matrix functional theory} (local RDMFT), a theoretical scheme capable of incorporating static correlation effects in Kohn-Sham equations. Here, we apply local…