Rapid convergence of V-V energy transfer calculated using adiabatic basis functions. I. An accurate two-state model for low-energy resonant V-V energy transfer. II

Devarajan Thirumalai, Donald G. Truhlar

Research output: Contribution to journalArticlepeer-review

10 Scopus citations

Abstract

We report a series of calculations designed to show the efficiency of adiabatic basis sets for V-V energy transfer in diatom-diatom collisions. We do find that these basis sets are very efficient for both symmetric and nonsymmetric cases. For resonant V-V energy transfer at low energies we obtain quantitative accuracy with a two-state model. The only dynamical calculations required for this model are two phase shifts.

Original languageEnglish (US)
Pages (from-to)5287-5294
Number of pages8
JournalThe Journal of chemical physics
Volume76
Issue number11
DOIs
StatePublished - 1981

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