Details

Autor(en) / Beteiligte

• Spelsberg, Dirk

Titel

Dynamic multipole polarizabilities and reduced spectra for OH, application to the long-range part of the two lowest potential surfaces of the OH–CO complex

Ist Teil von

• The Journal of chemical physics, 1999-12, Vol.111 (21), p.9625-9633

Erscheinungsjahr

1999

Link zum Volltext

Quelle

American Institute of Physics

Beschreibungen/Notizen

• The formalism of the two-center expansion of the long-range interaction potential is extended to molecules which may be in a degenerate state. As a consequence of this degeneracy the common long-range interaction coefficients have to be replaced by “long-range interaction matrices.” The formalism is applied to the OH–CO complex and leads to an accurate description of the long-range part of its potential surfaces. The reduced spectra that represent the dynamic polarizabilities of the subsystems are obtained in the single excitation multi-reference averaged coupled pair approach. They also serve to calculate the interaction matrices.