HCl rotational excitation by Ar impact: Quasiclassical close coupling approximation for atom-diatomic molecule scattering

Yehuda B. Band

doi:10.1063/1.437160

HCl rotational excitation by Ar impact: Quasiclassical close coupling approximation for atom-diatomic molecule scattering

Yehuda B. Band

Department of Chemistry

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13 Scopus citations

Abstract

We apply quasiclassical approximations for the relation motion degree of freedom to full quantum mechanical space fixed close coupling equations. This approximation is carried through in the context of atom-diatomic molecule rotational excitation collisions. Criteria for the validity of these approximations are described. We apply the method to treat Ar HCl collisions using previously suggested potential energy surfaces. The importance of diffraction, rotational inelasticity, and various features of the potential energy surface for state to state differential and integral cross sections are discussed.

Original language	English
Pages (from-to)	4-13
Number of pages	10
Journal	Journal of Chemical Physics
Volume	70
Issue number	1
DOIs	https://doi.org/10.1063/1.437160
State	Published - 1 Jan 1979

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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abstract = "We apply quasiclassical approximations for the relation motion degree of freedom to full quantum mechanical space fixed close coupling equations. This approximation is carried through in the context of atom-diatomic molecule rotational excitation collisions. Criteria for the validity of these approximations are described. We apply the method to treat Ar HCl collisions using previously suggested potential energy surfaces. The importance of diffraction, rotational inelasticity, and various features of the potential energy surface for state to state differential and integral cross sections are discussed.",

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AB - We apply quasiclassical approximations for the relation motion degree of freedom to full quantum mechanical space fixed close coupling equations. This approximation is carried through in the context of atom-diatomic molecule rotational excitation collisions. Criteria for the validity of these approximations are described. We apply the method to treat Ar HCl collisions using previously suggested potential energy surfaces. The importance of diffraction, rotational inelasticity, and various features of the potential energy surface for state to state differential and integral cross sections are discussed.

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HCl rotational excitation by Ar impact: Quasiclassical close coupling approximation for atom-diatomic molecule scattering

Abstract

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