Related papers: Occupation numbers of spherical orbits in self-con…
The nucleon single-particle energies (SPEs) of the selected closed shell nuclei; that is, 16O, 40Ca, and 56Ni, are obtained by using the diagonal matrix elements of two-body effective interaction, which generated through the lowest order…
The spectral form factor (SFF), characterizing statistics of energy eigenvalues, is a key diagnostic of many-body quantum chaos. In addition, partial spectral form factors (PSFFs) can be defined which refer to subsystems of the many-body…
We present the first calculations of a symmetry conserving configuration mixing method (SCCM) using time-reversal symmetry breaking Hartree-Fock-Bogoliubov (HFB) states with the Gogny D1S interaction. The method includes particle number and…
We report the derivation and implementation of orbital optimization algorithms for the active space decomposition (ASD) model, which are extensions of complete active space self-consistent field (CASSCF) and its occupation-restricted…
The statistical behavior of the eigenvalues of the sample covariance matrix (SCM) plays a key role in determining the performance of adaptive beamformers (ABF) in presence of noise. This paper presents a method to compute the approximate…
We present a statistical mechanical description of randomly packed spherical particles, where the average coordination number is treated as a macroscopic thermodynamic variable. The overall packing entropy is shown to have two…
We develop an energy density matrix that parallels the one-body reduced density matrix (1RDM) for many-body quantum systems. Just as the density matrix gives access to the number density and occupation numbers, the energy density matrix…
We present a method to perform fully selfconsistent density-functional calculations, which scales linearly with the system size and which is well suited for very large systems. It uses strictly localized pseudoatomic orbitals as basis…
In high temperature density functional theory simulations (from tens of eV to keV) the total number of Kohn-Sham orbitals is a critical quantity to get accurate results. To establish the relationship between the number of orbitals and the…
A new algorithm for calculating the spin- and parity-dependent shell model nuclear level densities using the moments method in the proton-neutron formalism is presented. A new, parallelized code based on this algorithm was developed and…
Relativistic self-consistent mean-field (SCMF) models naturally account for the coupling of the nucleon spin to its orbital motion, whereas non-relativistic SCMF methods necessitate a phenomenological ansatz for the effective spin-orbit…
Single-particle levels of seven magic nuclei are calculated within the Energy Density Functional (EDF) method by Fayans et al. Three versions of the EDF are used, the initial Fayans functional DF3 and its two variations, DF3-a and DF3-b,…
A novel method for calculating spectroscopic properties of medium-mass and heavy atomic nuclei with an odd number of nucleons is introduced, based on the framework of nuclear energy density functional theory and the particle-core coupling…
We study a model of interacting fermions in one dimension subject to random, uncorrelated onsite disorder. The model realizes an interaction-driven quantum phase transition between an ergodic and a many-body localized phase (MBL). We…
We investigate the possibility that some nuclei show density distributions with a depletion in the center, a semi-bubble structure, by using a Hartree-Fock plus Bardeen-Cooper-Schrieffer approach. We separately study the proton, neutron and…
The prediction of chemical properties using Machine Learning (ML) techniques calls for a set of appropriate descriptors that accurately describe atomic and, on a larger scale, molecular environments. A mapping of conformational information…
Creating spherical initial conditions in smoothed particle hydrodynamics simulations that are spherically conformal is a difficult task. Here, we describe two algorithmic methods for evenly distributing points on surfaces, that when paired…
We present SPARC-atomSFE, a spectral finite-element package for accurate and efficient atomic structure calculations within the framework of Kohn-Sham density functional theory. The package supports both all-electron and norm conserving…
The nucleon single-particle energies (SPEs) of the selected nuclei, that is, 16O, 40Ca, and 56Ni, are obtained by using the diagonal matrix elements of two-body effective interaction, which generated through the lowest order constrained…
Configuration mixing calculations performed in terms of the Skyrme/Gogny Energy Density Functional (EDF) rely on extending the Single-Reference energy functional into non-diagonal EDF kernels. The standard way to do so, based on an analogy…