Related papers: Weak Correlation and Strong Relativistic Effects o…
The combination of the configuration interaction method and all-order single-double coupled-cluster technique is used to calculate excitation energies, ionization potentials and static dipole polarizabilities of superheavy elements…
We analyze the molecular electric dipole moments (PDMs) and static electric dipole polarizabilities of heteronuclear alkali dimers in their ground states by employing coupled-cluster theory, both in the non-relativistic and four-component…
The creation and detection of atomic polarization is examined theoretically, through the study of basic optical-pumping mechanisms and absorption and fluorescence measurements, and the dependence of these processes on the size of ground-…
It has been shown that relativistic spin-orbit effects have enormous influence on the electronic structure of the correlated electron systems 3dn. The s-o coupling produces the fine electronic structure with a large number of low- energy, <…
Relativistic effects are investigated in nuclear matter calculations employing renormalized low-momentum nucleon-nucleon ($NN$) interactions. It is demonstrated that the relativistic effects cure a problem of non-relativistic low-momentum…
The wave function of two fermions, repulsively interacting in the presence of a Fermi sea, is evaluated in detail. We consider large but finite systems in order to obtain an unabiguous picture of the two-particle correlations. As recently…
Neutrinos and their weak interactions play a vital role in the physics of core-collapse supernovae and binary neutron star mergers. Their description within astrophysical simulations, including the weak rates, is of pivotal importance not…
In this paper we begin the development of a formalism for the description of high energy neutrino interactions. It is based upon field theory quantized on a null plane. We set up the general formalism as well as some techniques needed to…
Correlations in the nuclear wave-function beyond the mean-field or Hartree-Fock approximation are very important to describe basic properties of nuclear structure. Various approaches to account for such correlations are described and…
We introduce a novel computational approach for the investigation of complex correlated electron materials which makes it possible to evaluate interatomic forces and thereby determine atomic displacements and structural transformations…
Electron-phonon interactions in solids are crucial for understanding many interesting phenomena, such as conventional superconductivity, temperature-dependent band-gap renormalization, and polarons. For harmonic materials, the linear…
Unconventional strongly correlated phases of the repulsive Fermi-Hubbard model, which could be emulated by ultracold vapors loaded in optical lattices, are investigated by means of energy minimizations with quantum number projection before…
Rare-earth trihydrides ($R$H$_3$) exhibit intriguing coupled electronic and structural properties as a function of doping, hydrogen vacancies, and thermodynamic conditions. Theoretical studies of these materials typically rely on density…
We construct the complementary short-range correlation relativistic local-density-approximation functional to be used in relativistic range-separated density-functional theory based on a Dirac-Coulomb Hamiltonian in the no-pair…
The study of superfluid fermion pairs in a periodic potential has important ramifications for understanding superconductivity in crystalline materials. Using cold atomic gases, various condensed matter models can be studied in a highly…
We present a general approach within the relativistic coupled-cluster theory framework to calculate exactly the first order wave functions due to any rank perturbation operators. Using this method, we calculate the static dipole and…
A detailed study of the high-pressure structural properties, lattice dynamics and band structures of perovskite structured fluorides KZnF3, CsCaF3 and BaLiF3 has been carried out by means of density functional theory. The calculated…
First-principles density functional calculations are performed to investigate the interplay between inplane strains and interface effects in 1by1 PbTiO3/SrTiO3 and BaTiO3/SrTiO3 superlattices of tetragonal symmetry. One particular emphasis…
We study the superfluid behavior of ultracold atomic Fermi gases with a short range attractive interaction in a two-dimensional optical lattice (2DOL) using a pairing fluctuation theory, within the context of BCS-BEC crossover. We find that…
Scalar, baryon and vector--current densities in coordinate and momentum space are calculated within a relativistic mean--field model. The role of the low components of the bound nucleon wave function is investigated in detail for different…