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Data · dataset · 2016

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

Listed in Teesside University Research Data Repository

This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)

Description

Abstract

We provide an updated version of the program hex-ecs originally presented in Comput. Phys. Commun. 185 (2014) 2903–2912.

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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

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Catalogue records · 1

Topics

Inferred from text
Atomic and molecular physics 77%
Provenance · 1 source records, 12 field assertions
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