Related papers: Four center integrals for Coulomb interactions in …
We derive formulas for the Coulomb matrix within the full-potential linearized augmented-plane-wave (FLAPW) method. The Coulomb matrix is a central ingredient in implementations of many-body perturbation theory, such as the Hartree-Fock and…
We point out that a typical two-electron distribution function in atoms and molecules often called the intracule depends sensitively on the electron-electron repulsion which leads to the so-called Coulomb correlation. The difference between…
We study heavy-ion fusion reactions at energies near the Coulomb barrier, in particular with neutron-rich radioactive ion beams. Dynamic microscopic calculations are carried out on a three-dimensional lattice using the Density-Constrained…
The effective on-site Coulomb interaction (Hubbard $U$) between 5$f$ electrons in actinide metals (Th-Cf) is calculated with the framework of density-functional theory (DFT) using linear response approach. The $U$ values seldom rely on the…
Guiding by the relativistic local density approximation, we explore a phenomenological formula for the coupling strength of Coulomb field to take into account the Coulomb exchange term effectively in the relativistic Hartree approximation.…
We present an extension of the spin-adapted configuration-interaction method for the computation of four electrons in a quasi two-dimensional quantum dot. By a group-theoretical decomposition of the basis set and working with relative and…
A new class of analytic wave functions is derived for two dimensional N-electron (2 <= N < infinity) systems in high magnetic fields. These functions are constructed through breaking (at the Hartree-Fock level) and subsequent restoration…
Quantum mechanical scalar particle with polarizability is considered in the presence of the Coulomb field. Separation of variables is performed with the use of Wigner $D$-functions, the radial system of 15 equations is reduced to a single…
The $GW$ method for calculating quasi-particle energies of solids commonly begin from a DFT Hamiltonian and Kohn-Sham orbitals in a plane wave basis. Screening of the coulomb interaction is implemented using the inverse dielectric function…
I summarize Density Functional Theory (DFT) in a language familiar to quantum field theorists, and introduce several apparently novel ideas for constructing {\it systematic} approximations for the density functional. I also note that, at…
We present a theoretical method to calculate Delbr\"uck scattering amplitudes. Our formalism is based on the exact analytical Dirac-Coulomb Green's function and, therefore, accounts for the interaction of the virtual electron-positron pair…
We study the decomposition of the Coulomb integrals of periodic systems into a tensor contraction of six matrices of which only two are distinct. We find that the Coulomb integrals can be well approximated in this form already with small…
The four-component relativistic Fock space coupled cluster method is used to describe the magnetic hyperfine interaction in low-lying electronic states of the KCs molecule. Both diagonal and off-diagonal matrix elements as functions of the…
We survey approaches to nonrelativistic density functional theory (DFT) for nuclei using progress toward ab initio DFT for Coulomb systems as a guide. Ab initio DFT starts with a microscopic Hamiltonian and is naturally formulated using…
This is a follow-up of our recently proposed work on pseudopotential calculation (Ref. [21]) of atoms and molecules within DFT framework, using cartesian coordinate grid. Detailed results are presented to demonstrate the usefulness,…
The longitudinal Coulomb C0, C2 and C4 form factors with core-polarization effects have been studied using shell model calculations for 3/2$^+_1$ state with excitation energy of 1.069 MeV, 5/2$^+_2$ state with excitation energy of 2.706 MeV…
Coulomb wave functions are difficult to compute numerically for extremely low energies, even with direct numerical integration. Hence, it is more convenient to use asymptotic formulas in this region. It is the object of this paper to derive…
In this paper we apply a well-tested approximation of electron Coulomb distortion effects to the exclusive reaction (e,e'p) in the quasielastic region. We compare the approximate treatment of Coulomb distortion effects to the exact…
Electrical conduction through a two-terminal molecular device is studied using non-equilibrium Green's functions (NEGF) formalism. Such junction is made of a short linear wire which is connected to the metallic electrodes. Molecule itself…
The nucleus-nucleus interaction potentials in heavy-ion fusion reactions are extracted from the microscopic time-dependent Hartree-Fock theory for mass symmetric reactions $^{16}$O${}+^{16}$O, $^{40}$Ca${}+^{40}$Ca, $^{48}$Ca${}+^{48}$Ca…