A new version of a program calculating the static interaction potential between an electron and a diatomic molecule
| Main Author: | CPC, Mendeley |
|---|---|
| Other Authors: | Gianturco, F.A. |
| Format: | Dataset |
| Terbitan: |
Mendeley
, 1976
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| Subjects: | |
| Online Access: |
https:/data.mendeley.com/datasets/x73wmjzj5c |
Daftar Isi:
- Title of program: OCEP W.F. AND STATIC POTENTIAL Catalogue Id: ACQW_v2_0 [ACWO] Nature of problem This program calculates in one-centre expansion (OCE) form the wavefunction for a diatomic molecule and also the multipolar expansion of its static interaction with a point charge. It corrects some errors contained in a previous version of this program and provides both potential and wave function in a form suitable for using in a program to calculate electron molecule scattering. Versions of this program held in the CPC repository in Mendeley Data ACQW_v1_0; STATIC INTERACTION POTENTIAL; 10.1016/0010-4655(71)90002-6 ACQW_v2_0; OCEP W.F. AND STATIC POTENTIAL; 10.1016/0010-4655(76)90055-2 ACQW_v3_0; ONE CENTRE STATIC POTENTIAL; 10.1016/0010-4655(80)90006-5 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)