相关论文: An exact Coulomb cutoff technique for supercell ca…

Simultaneous analyses are performed for cross section data of elastic scattering, fusion, Coulomb breakup, and other direct yields for the $^{6}$He+$^{209}$Bi system at near-Coulomb-barrier energies. The bare and dynamical polarization…

The Coulomb interaction between the protons is included in the description of proton-deuteron scattering using the screening and renormalization approach in the framework of momentum-space integral equations. Two new calculational schemes…

In the description of the interaction between electrons beyond the classical Hartree picture, bare exchange often yields a leading contribution. Here we discuss its effect on optical spectra of solids, comparing three different frameworks:…

Experimental annihilation cross sections of antineutrons and antiprotons at very low energies are compared. Features of Coulomb focusing are observed for $\bar p$ annihilation on protons. Direct comparisons for heavier targets are not…

Experiments on quasi-one-dimensional systems such as quantum wires and metallic chains on surfaces suggest the existence of electron-electron interactions of substantial range and hence physics beyond the Hubbard model. We therefore…

We present a fast algorithm to calculate Coulomb/exchange integrals of prolate spheroidal electronic orbitals, which are the exact solutions of the single-electron, two-center Schr\"odinger equation for diatomic molecules. Our approach…

Exact (Hartree Fock) exchange is needed to overcome some of the limitations of local and semilocal approximations of density functional theory (DFT). So far, however, computational cost has limited the use of exact exchange in plane wave…

Investigation of electronic waves with high coherence in photodetachment of a negative ion gives a physical basis to develop the holographic electronic microscopy with high resolution. The interference pattern is considered in the framework…

We show that finite-range alternatives to the standard long-range BKS pair potential for silica might be used in molecular dynamics simulations. We study two such models that can be efficiently simulated since no Ewald summation is…

A realistic evaluation of Coulomb potential has been made for some selected nuclei using the available model-independent data for the charge density and the recent development of Coulomb energy-density functional. Within the Woods-Saxon…

We consider the question of removing the ultraviolet cutoff in a 2D Quantum Field Theory with an interaction term which is non-renormalizable by power counting. This model arises as the first non-trivial correction beyond the Gaussian…

We apply the ideas of effective field theory to nonrelativistic quantum mechanics. Utilizing an artificial boundary of ignorance as a calculational tool, we develop the effective theory using boundary conditions to encode short-ranged…

Relativistic Hartree-Fock theory is combined with the Green's function method in coordinate space to study both single-particle bound and resonant states within a unified framework. Within this approach, single-particle resonance energies…

We describe the following new features which significantly enhance the power of the recently developed real-space imaginary-time GW scheme (Rieger et al., Comp. Phys. Commun. 117, 211 (1999)) for the calculation of self-energies and related…

To numerically solve a generic elliptic equation on two-dimensional domains with rectangular Cartesian grids, we propose a cut-cell geometric multigrid method that features (1) general algorithmic steps that apply to two-dimensional…

In this work, simple exact results are presented for summations in two-particle potential with long-range interactions. Polygamma function is used to evaluate summations. Results are found when a periodic media is consider. Periodic…

At the limit of an infinite confinement strength $\omega$, the ground state of a system that comprises two fermions or bosons in a harmonic confinement interacting through the Fermi--Huang pseudopotential remains strongly correlated. A…

A mixed basis approach based on density functional theory is extended to one-dimensional(1D) systems. The basis functions here are taken to be the localized B-splines for the two finite non-periodic dimensions and the plane waves for the…

Coulomb integrals, i.e., matrix elements of bare or screened Coulomb interaction between one-electron orbitals, are fundamental objects in many approaches developed to tackle the challenging problem of calculating the electronic structure…

We study the real time dynamics of electron coherence in a double quantum dot two-terminal Aharonov-Bohm geometry, taking into account repulsion effects between the dots' electrons. The system is simulated by extending a numerically exact…