Dynamics of O(3Pj) + Rg collisions on ab initio and scattering potentials

Roman V. Krems, A. A. Buchachenko, M. M. Szcześniak, J. Kłos, G. Chałasiński

Research output: Contribution to journalArticlepeer-review

23 Citations (Scopus)

Abstract

The set of quality ab initio nonrelativistic potentials for the Rg-O systems (Rg=He-Kr) that can be used along with the scattering potentials in the simulations of dynamics of intramultiplet mixing in O(3Pj) was derived. Following this, the solution of the quantum scattering problem for O(3Pj) + Rg intramultiplet transitions was tested. Accurate estimates of cross sections and rate constants for inelastic collisions in a wide range of collision energies and temperatures were obtained. Finally, the behavior and accuracy of predicted rate constants in the low- and high-temperature limits were determined.

Original languageEnglish
Pages (from-to)1457-1467
Number of pages11
JournalJournal of Chemical Physics
Volume116
Issue number4
DOIs
Publication statusPublished - 22 Jan 2002
Externally publishedYes

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