Related papers: Linear scaling solution of the all-electron Coulom…
The Dirac-Coulomb equation for helium-like ions is solved using the iterative self-consistent field method, with Slater-type spinor orbitals as the basis. These orbitals inherently satisfy the kinetic-balance condition due to their coupling…
Coulomb dissociation is an especially simple and important reaction mechanism. Since the perturbation due to the electric field of the (target) nucleus is exactly known, firm conclusions can be drawn from such measurements. Electromagnetic…
The many-body Coulomb repulsive energy of strictly correlated electrons provides direct information of the exact Hohenberg-Kohn exchange-correlation functional in the strong interaction limit. Until now the treatment of strictly correlated…
We present a precise fully relativistic numerical solution of the two-center Coulomb problem. The special case of unit nuclear charges is relevant for the accurate description of the ${\rm H}_2^+$ molecular ion and its isotopologues,…
Density-functional theory (DFT) has revolutionized computer simulations in chemistry and material science. A faithful implementation of the theory requires self-consistent calculations. However, this effort involves repeatedly diagonalizing…
We propose a new method to describe three-body breakups of nuclei, in which the Lippmann-Schwinger equation is solved combining with the complex scaling method. The complex-scaled solutions of the Lippmann-Schwinger equation (CSLS) enables…
Poisson's equation has been used in VLSI global placement for describing the potential field caused by a given charge density distribution. Unlike previous global placement methods that solve Poisson's equation numerically, in this paper,…
We analyze the fully relativistic, field-theoretical treatment of the scalar Coulomb problem. We work in a truncated Hilbert-Fock space containing the two-constituent states and the two-constituent-and-one-massless-exchange-particle states.…
Motivated by the great interest in studying quantum and gravitational phenomena in a unified way, scalar bosons are considered in a cosmic string spacetime and in a non-inertial frame, with a generalized Coulomb-type interaction containing…
We study the equilibrium statistical mechanics of classical two-dimensional Coulomb systems living on a pseudosphere (an infinite surface of constant negative curvature). The Coulomb potential created by one point charge exists and goes to…
The numerical solution of the many-body problem of interacting electrons and ions is a key challenge in condensed matter physics, chemistry, and materials science. Traditional methods to solve the multi-component quantum Hamiltonian are…
The Coulomb logarithm often enters various plasma models and simulation methods for computing the transport and relaxation properties of plasmas. Traditionally, a classical pair collision picture was used to calculate the Coulomb logarithm…
Total energy electronic structure calculations, based on density functional theory or on the more empirical tight binding approach, are generally believed to scale as the cube of the number of electrons. By using the localisaton property of…
We investigate the low density limit of the Homogeneous Electron system, often called the {\it Strictly Correlated} regime. We begin with a systematic presentation of the expansion around infinite $r_S$, based on the first quantized…
We discuss the linearization of Einstein equations in the presence of a cosmological constant, by expanding the solution for the metric around a flat Minkowski space-time. We demonstrate that one can find consistent solutions to the…
The Hamiltonian of the spinless relativistic Coulomb problem combines the standard Coulomb interaction potential with the square-root operator of relativistic kinematics. This Hamiltonian is known to be bounded from below up to some…
We develop an all-electron quantum Monte Carlo (QMC) method for solids that does not rely on pseudopotentials, and use it to construct a primary ultra-high pressure calibration based the equation of state of cubic boron nitride(c-BN). We…
We introduce the package SWANLOP to calculate scattering waves and corresponding observables for nucleon elastic collisions off spin-zero nuclei. The code is capable of handling local and nonlocal optical potentials superposed to long-range…
We propose a local, O(N) molecular dynamics algorithm for the simulation of charged systems. The long ranged Coulomb potential is generated by a propagating electric field that obeys modified Maxwell equations. On coupling the…
In this paper, a novel $h$-adaptive isogeometric solver utilizing high-order hierarchical splines is proposed to solve the all-electron Kohn--Sham equation. In virtue of the smooth nature of Kohn--Sham wavefunctions across the domain,…