A semiclassical series solution of the generalized phase shift atom–diatom scattering equations

A semiclassical series solution of the previously developed operator form of the generalized phase shift equations describing atom–diatom scattering is presented. This development is based on earlier work which led to a double series in powers of Planck’s constant and a scaling parameter of the anis...

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Veröffentlicht in:J. Chem. Phys.; (United States) 1980-01, Vol.72 (1), p.126-130
Hauptverfasser: Squire, Kevin R., Curtiss, C. F.
Format: Artikel
Sprache:eng
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Zusammenfassung:A semiclassical series solution of the previously developed operator form of the generalized phase shift equations describing atom–diatom scattering is presented. This development is based on earlier work which led to a double series in powers of Planck’s constant and a scaling parameter of the anisotropic portion of the intermolecular potential. The present solution is similar in that it is a double power series in Planck’s constant and in the difference between the spherical radial momentum and a first order approximation. The present series solution avoids difficulties of the previous series associated with the classical turning point.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.438896