2026-10-10T06:58:59Z https://data.mendeley.com/oai

oai:data.mendeley.com/7wv94b8k6m.1 1986-06-01T11:00:00Z

CPC, Mendeley Errors in the three CPC versions of the program to calculate the single centre expansion of the electron diatomic-molecule static potential. Mendeley Data Title of program: STOEX Catalogue Id: AALA_v1_0 Nature of problem The accuracy of the cross-sections obtained in the single centre formulation of the electron-molecule scattering problem depends heavily on the quality of the one-centre expansion of the multicentre LCAO molecular orbitals. Therefore, it is desirable to study carefully the convergence of the Slater-type atomic orbitals about a displaced origin. Versions of this program held in the CPC repository in Mendeley Data AALA_v1_0; STOEX; 10.1016/0010-4655(86)90028-7 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018) Physical Chemistry Molecular Physics Computational Physics Malegat, L. Le Dourneuf, M. Ky Lan, Vo Dataset doi:10.17632/7wv94b8k6m.1 oai:data.mendeley.com/7wv94b8k6m.1 Computer Physics Communications Journal Licence https://www.elsevier.com/about/policies/open-access-licenses/elsevier-user-license/cpc-license/ https://data.mendeley.com/datasets/7wv94b8k6m 1986-06-01T11:00:00Z