A fast and simple program for solving local Schrödinger equations in two and three dimensions

Published: 1 June 2008| Version 1 | DOI: 10.17632/stwjhmc26m.1
S. Janecek, E. Krotscheck


Abstract We describe a simple and rapidly converging code for solving local Schrödinger equations in two and three dimensions. Our method utilizes a fourth-order factorization of the imaginary time evolution operator which improves the convergence rate by one to two orders of magnitude compared with a second-order Trotter factorization. We present the theory behind the method and strategies for assessing convergence and accuracy. Our code requires one user defined function which specifies the local e... Title of program: 3dsch/2dsch Catalogue Id: AEAQ_v1_0 Nature of problem Numerical calculation of low-lying states of 2D and 3D local Schrödinger equations in configuration space. Versions of this program held in the CPC repository in Mendeley Data AEAQ_v1_0; 3dsch/2dsch; 10.1016/j.cpc.2008.01.035 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)



Atomic Physics, Surface Science, Condensed Matter Physics, Computational Physics