Ab initio potentials for the S(3Pj)-rare gas dimers: Implementation for elastic and inelastic collisions and comparison with scattering potentials

J. Kos, G. Chalasinski, Roman V. Krems, A. A. Buchachenko, Vincenzo Aquilanti, Fernando Pirani, David Cappelletti

Research output: Contribution to journalArticlepeer-review

16 Citations (Scopus)

Abstract

The interaction potentials between the ground state S(3P) atoms and rare gas atoms in 3∏ and 3σ- states were discussed using an unrestricted CCSD(T) level of theory and extended correlation consistent basis set. The commonly used atomic model was used to take into account the spin-orbit interaction. The analysis showed the high accuracy of ab initio potentials and characterization of sensitivity of scattering cross sections to the properties of interaction potentials.

Original languageEnglish
Pages (from-to)9269-9280
Number of pages12
JournalJournal of Chemical Physics
Volume116
Issue number21
DOIs
Publication statusPublished - 1 Jun 2002
Externally publishedYes

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