Application of the GCA to a series of curve crossing topologies
Faculty of Sciences. Mathematics and Computer Science
New York, N.Y.
International journal of quantum chemistry. - New York, N.Y.
, p. 49-57
University of Antwerp
The generator coordinate approximation (GCA) for the calculation of spectra of diatomics is briefly reviewed. Results of this method applied to a series of curve crossings are presented. In all cases, the generator coordinate method performs significantly better than does the adiabatic approximation. When the energy gap becomes smaller, the GCA results improve. In the crossing limit, the GCA becomes exact. (C) 1994 John Wiley & Sons, Inc.