Non-adiabatic transformation of quantum-chemistry energy hypersurfaces

Published: 1 January 1983| Version 1 | DOI: 10.17632/yj4pc9p5f8.1
M.C. Bacchus-Montabonel,
P. Vermeulin


Title of program: DIAB Catalogue Id: ABXA_v1_0 Nature of problem Determination of non-adiabatic potential surfaces from interaction configuration wavefunctions. Versions of this program held in the CPC repository in Mendeley Data ABXA_v1_0; DIAB; 10.1016/0010-4655(83)90058-9 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)