Related papers: Four center integrals for Coulomb interactions in …
The differential elastic cross sections of $^{12}$C - $^{12}$C, $^{16}$O - $^{16}$O and $^{20}$Ne - $^{20}$Ne nuclei scattering are calculated in the complete Glauber theory with the account of the modification due to Coulomb interaction…
Fusion of two deuterons of room temperature energy is studied. The nuclei are in vacuum with no connection to any external source (electric or magnetic field, illumination, surrounding matter, traps, etc.) which may accelerate them. The…
We present a fully self-consistent computational framework composed by Hartree-Fock plus ran- dom phase approximation where the spin-orbit and Coulomb terms of the interaction are included in both steps of the calculations. We study the…
Range-separated density-functional theory is an alternative approach to Kohn-Sham density-functional theory. The strategy of range-separated density-functional theory consists in separating the Coulomb electron-electron interaction into…
Density functional theory was used to study the nonmagnetic (NM) and ferromagnetic (FM) phases of face-centered cubic cerium. Functionals of four levels of approximations for the exchange-correlation energy were used: LDA, PBE, LDA/PBE+$U$,…
The repulsive Coulomb force poses severe challenges when describing $(d, p)$ reactions for highly charged nuclei as a three-body problem. Casting Faddeev-AGS equations in a Coulomb basis avoids introducing screening of the Coulomb force.…
We describe low-lying collective excitations of atomic nuclei with the multi-reference covariant density functional theory, and combine them with coupled-channels calculations for heavy-ion fusion reactions at energies around the Coulomb…
The Time-dependent Hartree-Fock (TDHF) theory is applied to the study of heavy ion collisions at energies around the Coulomb barrier. The competition between fusion and nucleon transfer mechanisms is investigated. For intermediate mass…
By splitting the Coulomb interaction into long-range and short-range components, we decompose the energy of a quantum electronic system into long-range and short-range contributions. We show that the long-range part of the energy can be…
We have calculated the total energy of the helium atom in higher excited state. The Coulomb and exchange integrals are evaluated via spherical harmonics. The interaction of the magnetic moments of the electrons between them and also with…
A real-space formalism for density-functional perturbation theory (DFPT) is derived and applied for the computation of harmonic vibrational properties in molecules and solids. The practical implementation using numeric atom-centered…
One approximation is made to describe a M+1 electron many-body wavefunction by a M electron many-body wavefunction and a single electron wavefunction. Under this approximation, we have derived the Coulomb energy which relates the exciton…
In this article, we study the Coulomb corrections to the Delbrueck scattering amplitude. We consider the limit when the energy of the photon is much less than the electron mass. The calculations are carried out in the coordinate…
The authors in their previous papers obtained compact, arbitrarily accurate expressions for two-center one- and two-electron relativistic molecular integrals expressed over Slater-type orbitals. In this present study, the accuracy limits of…
The interaction between electronic and nuclear spins in the presence of external magnetic fields can be described by a spin Hamiltonian, with parameters obtained from first principles, electronic structure calculations. We describe an…
A low-cost approach for stochastically sampling static exchange during TDHF-type propagation is presented. This enables the use of an excellent hybrid DFT starting point for stochastic GW quasiparticle energy calculations. Generalized…
The method for analytic evaluation of four-particle integrals, proposed by Fromm and Hill, is generalized to include complex exponential parameters. An original procedure of numerical branch tracking for multiple valued functions is…
We present an efficient numerical method for simulating the low-energy properties of disordered many-particle systems. The method which is based on the quantum-chemical configuration interaction approach consists in diagonalizing the…
We report on numerical studies of the energy spectrum and the localization properties in the double-layer quantum Hall system at $\nu = 1$. The Coulomb interaction is treated by the Hartree-Fock approximation, and the localization…
Deviations from the uniform oscillator spacing, related to the shape of the confining potential, have a strong influence on few-electron states in quantum dots when Coulomb effects are included. Distinct signatures are found for level…