New version of hex-ecs, the B-spline implementation of exterior complex scaling method for solution of electron–hydrogen scattering

2019-07-22T08:30:19Z (GMT) by Jakub Benda Karel Houfek
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018) Abstract We provide an updated version of the program hex-ecs originally presented in Comput. Phys. Commun. 185 (2014) 2903–2912. The original version used an iterative method preconditioned by the incomplete LU factorization (ILU), which–though very stable and predictable–requires a large amount of working memory. In the new version we implemented a “separated electrons” (or “Kronecker product approximation”, KPA) preconditioner as suggested by Bar-On et al., Appl. Num. Math. 33 (2000) 95–104. This p... Title of program: hex-ecs Catalogue Id: AETI_v2_0 Nature of problem Solution of the two-particle Schrödinger equation in central field. Versions of this program held in the CPC repository in Mendeley Data AETI_v1_0; hex-ecs; 10.1016/j.cpc.2014.05.021 AETI_v2_0; hex-ecs; 10.1016/j.cpc.2016.03.020