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Proceedings Paper

Ab initio dynamical models of weakly bonded complexes in the atmosphere
Author(s): L. P. Sukhanov; V. V. Zheleznyakov; N. L. Zakamskaya; Shavkat Sh. Nabiev
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Paper Abstract

Based on ab initio calculations by the Hartree-Fock-Roothaan method of the potential energy surface of the complex H2O...HF, the optimum model (both in the sense of exactness and simplicity) is built to calculate the low-frequency shift (Delta) v of the vibrational band of arbitrary monomer Y when it forms the weakly bonded complex H2O...Y under the atmosphere conditions. The model uses only parameters of the one-dimensional potential function of the anharmonic oscillator Y in the field of the H2O molecule; the model is based on the fact that the vibrational variables of the fast and slow subsystems are adiabatically separated in the complexes with the hydrogen bonds.

Paper Details

Date Published: 29 December 2000
PDF: 6 pages
Proc. SPIE 4341, Seventh International Symposium on Atmospheric and Ocean Optics, (29 December 2000); doi: 10.1117/12.411934
Show Author Affiliations
L. P. Sukhanov, Russian Research Ctr. Kurchatov Institute (Russia)
V. V. Zheleznyakov, Russian Research Ctr. Kurchatov Institute (Russia)
N. L. Zakamskaya, Russian Research Ctr. Kurchatov Institute (Russia)
Shavkat Sh. Nabiev, Russian Research Ctr. Kurchatov Institute (Russia)


Published in SPIE Proceedings Vol. 4341:
Seventh International Symposium on Atmospheric and Ocean Optics
Gennadii G. Matvienko; Mikhail V. Panchenko, Editor(s)

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