Semiempirical intermolecular diatomics-in-molecule first- order perturbation theory for the rare gas atom - halogen molecule interaction potentials is implemented for accurate quantum calculations on the structure, vibrational energy levels, and decay dynamics of the corresponding van der Waals complexes. The results obtained for Ar...I2, Ar...Cl2, and Ne...Cl2 complexes demonstrate the high accuracy of semiempirical potential energy surfaces.
|Number of pages||5|
|Journal||Proceedings of SPIE - The International Society for Optical Engineering|
|Publication status||Published - 1997|
|Event||12th Symposium and School on High-Resolution Molecular Spectroscopy - St. Petersburg, Russian Federation|
Duration: 1 Jul 1996 → 1 Jul 1996