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Proceedings Paper

Calculations of spectra and dynamics of rare-gas halogen molecule complexes using the semi-empirical potential energy surfaces
Author(s): Alexei A. Buchachenko; N. F. Stepanov
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Paper 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.

Paper Details

Date Published: 3 March 1997
PDF: 5 pages
Proc. SPIE 3090, 12th Symposium and School on High-Resolution Molecular Spectroscopy, (3 March 1997); doi: 10.1117/12.267790
Show Author Affiliations
Alexei A. Buchachenko, Moscow State Univ. (Russia)
N. F. Stepanov, Moscow State Univ. (Russia)

Published in SPIE Proceedings Vol. 3090:
12th Symposium and School on High-Resolution Molecular Spectroscopy
Leonid N. Sinitsa; Yurii N. Ponomarev; Valery I. Perevalov, Editor(s)

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