PCTDSE: A parallel Cartesian-grid-based TDSE solver for modeling laser–atom interactions

Abstract We present a parallel Cartesian-grid-based time-dependent Schrödinger equation (TDSE) solver for modeling laser–atom interactions. It can simulate the single-electron dynamics of atoms in arbitrary time-dependent vector potentials. We use a split-operator method combined with fast Fourier transforms (FFT), on a three-dimensional (3D) Cartesian grid. Parallelization is realized using a 2D decomposition strategy based on the Message Passing Interface (MPI) library, which results in a good... Title of program: PCTDSE Catalogue Id: AFBM_v1_0 Nature of problem Simulate the single-electron dynamics of atoms under the strong fields of modern lasers according to the time-dependent Schrödinger equation. Versions of this program held in the CPC repository in Mendeley Data AFBM_v1_0; PCTDSE; 10.1016/j.cpc.2016.09.016 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)