Related papers: Four center integrals for Coulomb interactions in …
We have constructed a perturbation theory to treat interactions that can include the Coulomb interaction, describing a physical problem that is often encountered in nuclear physics. The Coulomb part is not treated perturbatively; the exact…
In this work we give a comprehensive derivation of an exact and numerically feasible method to perform ab-initio calculations of quantum particles interacting with a quantized electromagnetic field. We present a hierachy of…
Using a new representation for the quasiclassical Green function of the Dirac equation in a Coulomb field, analytical expressions for the high-energy small-angle Delbr\"uck scattering amplitudes are obtained exactly in the parameter…
The problem of Coulomb breakup in the scattering of a two-body loosely bound projectile by a heavy target is addressed. A basis of transformed harmonic oscillator (THO) wave functions is used to discretize the projectile continuum and to…
The use of effective local Coulomb interactions that are dynamical, that is, frequency-dependent, is an efficient tool to describe the effect of long-range Coulomb interactions and screening thereof in solids. The dynamical character of the…
High energy particles' behavior including fusion born alpha particles in an ITER like tokamak in the presence of background driftwave turbulence is investigated by an orbit following calculation. The background turbulence is given by the…
In the study of femtoscopic correlations in high-energy physics, besides Bose--Einstein correlations, one has to take final-state interactions into account. Amongst them, Coulomb interactions play a prominent role in the case of charged…
One of the major computational bottlenecks in one-body reduced density matrix (1RDM) functional theory is the evaluation of approximate 1RDM functionals and their derivatives. The reason is that more advanced approximate functionals are…
We present a fast and accurate algorithm for the evaluation of nonlocal (long-range) Coulomb and dipole-dipole interactions in free space. The governing potential is simply the convolution of an interaction kernel $U(\bx)$ and a density…
At energies below the Coulomb barrier, the fusion excitation function for the $^{12}$C+$^{12}$C system shows prominent fine structures, whereas that for the $^{12}$C+$^{13}$C system behaves more smoothly as a function of energy. We…
We derive distance-dependent estimators for two-center and three-center electron repulsion integrals over a short-range Coulomb potential, $\textrm{erfc}(\omega r_{12})/r_{12}$. These estimators are much tighter than one based on the…
The four center integrals needed in the Hartree Fock approximation and in TDDFT linear response are known to be difficult to calculate for orbitals of the Slater type or of finite range. We show that the interaction of pairs of products…
Approximate molecular calculations via standard Kohn-Sham Density Functional Theory are exactly reproduced by performing self-consistent calculations on isolated fragments via Partition Density Functional Theory [Phys. Rev. A 82, 024501…
We compare two different approaches to investigations of many-electron systems. The first is the Hartree-Fock (HF) method and the second is the Density Functional Theory (DFT). Overview of the main features and peculiar properties of the HF…
The numerical implementation of an exchange-correlation functional is not always an accurate reproduction of its theoretical specification. For example, density functionals for exchange and correlation can be defined by an exchange or…
The coordinate asymptotics of the wave function for the problem of scattering of three particles with Coulomb interaction is constructed. Representation of hyperspherical functions is used to reduce the Schr\"odinger equation to a system of…
A double hybrid approximation using the Coulomb-attenuating method (CAM-DH) is derived within range-separated density-functional perturbation theory, in the spirit of a recent work by Cornaton {\it et al.} [Phys. Rev. A 88, 022516 (2013)].…
We introduce a generic approach to study interaction effects in diffusive or chaotic quantum dots in the Coulomb blockade regime. The randomness of the single-particle wave functions induces randomness in the two-body interaction matrix…
In this paper we motivate, formulate and analyze the Multi-Configuration Time-Dependent Hartree-Fock (MCTDHF) equations for molecular systems under Coulomb interaction. They consist in approximating the N-particle Schrodinger wavefunction…
Hydrogen bonding is an important non-covalent interaction that plays a major role in molecular self-organization and supramolecular structures. It can be described accurately with ab initio quantum chemical wave function methods, which…