Calculations of spectra and dynamics of rare gas - halogen molecule complexes using the semi-empirical potential energy surfaces

Alexei A. Buchachenko, N. F. Stepanov

Research output: Contribution to journalConference articlepeer-review

2 Citations (Scopus)

Abstract

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.

Original languageEnglish
Pages (from-to)52-56
Number of pages5
JournalProceedings of SPIE - The International Society for Optical Engineering
Volume3090
DOIs
Publication statusPublished - 1997
Externally publishedYes
Event12th Symposium and School on High-Resolution Molecular Spectroscopy - St. Petersburg, Russian Federation
Duration: 1 Jul 19961 Jul 1996

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