Effective polarizability operator for X₂Y-type molecules. Application to line width and line shift calculations of H₂O

V. I. Starikov, A. E. Protasevich

Research output: Contribution to journal › Article

Abstract

The expressions for the second-order rotational correction terms of the effective polarizability operator of asymmetric rotors have been derived using the method of contact transformation. The correction terms have been calculated for the H₂O molecule. The influence of the rotational contributions on the halfwidths and shifts of some selected lines of H₂O perturbed by the atoms of inert gases and N₂ molecule is investigated.

Original language	English
Pages (from-to)	81-88
Number of pages	8
Journal	Journal of Molecular Structure
Volume	646
Issue number	1-3
DOIs	https://doi.org/10.1016/S0022-2860(02)00613-0
Publication status	Published - 19 Feb 2003

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Keywords

Effective polarizability
Line widths and line shifts of HO

ASJC Scopus subject areas

Structural Biology
Organic Chemistry
Physical and Theoretical Chemistry
Spectroscopy
Atomic and Molecular Physics, and Optics

Cite this

Starikov, V. I., & Protasevich, A. E. (2003). Effective polarizability operator for X₂Y-type molecules. Application to line width and line shift calculations of H₂O. Journal of Molecular Structure, 646(1-3), 81-88. https://doi.org/10.1016/S0022-2860(02)00613-0

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AB - The expressions for the second-order rotational correction terms of the effective polarizability operator of asymmetric rotors have been derived using the method of contact transformation. The correction terms have been calculated for the H2O molecule. The influence of the rotational contributions on the halfwidths and shifts of some selected lines of H2O perturbed by the atoms of inert gases and N2 molecule is investigated.

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Access to Document

10.1016/S0022-2860(02)00613-0