Related papers: Radial Kohn-Sham problem via integral-equation app…
This chapter presents the development of a density functional theory (DFT)-based method for accurate, reliable treatment of various resonances in atoms. Many of these are known to be notorious for their strong correlation, proximity to more…
We study in this work an integral formulation for the radiative transfer equation (RTE) in anisotropic media with truncated approximation to the scattering phase function. The integral formulation consists of a coupled system of integral…
The spherical-box approach is extended to calculate the resonance parameters and the real part of the wave function for single particle resonances in a potential containing the long-range Coulomb interaction. A model potential is taken to…
A generalization of the Kohn--Sham approach is derived where the correlation-energy functional depends on the one-particle density matrix of noninteracting states and on the external potential from the interacting target-state. The…
We introduce a general, variational scheme applied to Kohn-Sham density functional theory that allows for partitioning of the ground-state density matrix into distinct spectral domains, each of which spanned by an independent diagonal…
We study spherically symmetric solutions of semilinear wave equations in the case where the nonlinearity satisfies the null condition on extremal Reissner--Nordstrom black hole spacetimes. We show that solutions which arise from…
Ultrafast scattering using X-rays or electrons is an emerging method to obtain structure dynamics at the atomic length and time scales. However, directly resolving in real-space atomic motions is inherently limited by the finite detector…
The standard model of non-relativistic quantum electrodynamics describes non-relativistic quantum matter, such as atoms and molecules, coupled to the quantized electromagnetic field. Within this model, we review basic notions, results and…
An exactly solvable position-dependent mass Schr\"odinger equation in two dimensions, depicting a particle moving in a semi-infinite layer, is re-examined in the light of recent theories describing superintegrable two-dimensional systems…
We have given a straightforward method to solve the problem of noncentral anharmonic oscillator in three dimensions. The relative propagator is presented by means of path integrals in spherical coordinates. By making an adequate change of…
Based on recent ideas, stemming from the use of bubbles, we discuss an algorithm for the numerical simulation of the cubic nonlinear Schr{\"o}dinger equation with harmonic potential in any dimension, which could be easily extended to other…
The nonlocal Cahn-Hilliard equation provides a natural extension of the classical model for phase separation by incorporating long-range interactions through a singular convolution kernel. While this formulation admits a rich existence and…
In this paper we analyze a recently proposed approach for the construction of antisymmetric functions for atomic and molecular systems. It is based on the assumption that the main problems with Hartree-Fock wavefunctions stem from their…
We review two common numerical schemes for Coulomb potential evaluation that differ only in their radial part of the solutions in the spherical harmonic expansion (SHE). One is based on finite-difference method (FDM) while the other is…
We present a novel numerical solver for the systems of coupled non-linear elliptical differential equations. The solver partitions the computational domain into a set of rectangular pseudo-spectral collocation subdomains and is especially…
Stationary solutions asymptoting to nonlinear plane waves of the nonlinear Schr\"odinger equation with a PT-symmetric, complex linear potential are characterized. The potential includes both a spatially varying gain-loss profile and a…
A non-perturbative approach to the solution of the time-dependent, two-center Dirac equation is presented with a special emphasis on the proper treatment of the potential of the nuclei. In order to account for the full multipole expansion…
Four-center two-electron Coulomb integrals routinely appear in electronic structure algorithms. The resolution-of-the-identity (RI) is a popular technique to reduce the computational cost for the numerical evaluation of these integrals in…
The Half-Space Matching (HSM) method has recently been developed as a new method for the solution of 2D scattering problems with complex backgrounds, providing an alternative to Perfectly Matched Layers (PML) or other artificial boundary…
In this paper, we examine the non-relativistic stationary Schr\"odinger equation from a differential Galois-theoretic perspective. The main algorithmic tools are pullbacks of second order ordinary linear differential operators, so as to…