An arbitrary order diffusion algorithm for solving Schrödinger equations

Published: 1 September 2009| Version 1 | DOI: 10.17632/tn9gn3t7r5.1
S.A. Chin, S. Janecek, E. Krotscheck


Abstract We describe a simple and rapidly converging code for solving the local Schrödinger equation in one, two, and three dimensions that is particularly suited for parallel computing environments. Our algorithm uses high-order imaginary time propagators to project out the eigenfunctions. A recently developed multi-product, operator splitting method permits, in principle, convergence to any even order of the time step. We review briefly the theory behind the method and discuss strategies for assessi... Title of program: ndsch Catalogue Id: AEDR_v1_0 Nature of problem Numerical calculation of the lowest few hundred states of 1D, 2D, and 3D local Schrödinger equations in configuration space. Versions of this program held in the CPC repository in Mendeley Data AEDR_v1_0; ndsch; 10.1016/j.cpc.2009.04.003 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)



Surface Science, Condensed Matter Physics, Computational Physics