Converged calculations of rotational energy transfer in HFHF collisions

David W. Schwenke, Donald G. Truhlar

Research output: Contribution to journalArticlepeer-review

4 Scopus citations

Abstract

We have performed large‐scale close coupling calculations of rotational‐to‐rotational energy transfer in HFHF collisions for the realistic potential energy surface of Brobjer and Murrell. We employ up to 525 angular terms in the expansion of the potential and up to 440 coupled channels in the rotational‐orbital basis set. The results for zero total angular momentum are well converged for relative translational energies up to over 0.6 eV, and they show extensive rotational excitation.

Original languageEnglish (US)
Pages (from-to)282-290
Number of pages9
JournalJournal of Computational Chemistry
Volume8
Issue number4
DOIs
StatePublished - Jun 1987

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