Test of the linear sum rule for vibrational energy transfer by trajectory calculations

Donald G. Truhlar, Normand C. Blais

Research output: Contribution to journalArticlepeer-review

8 Scopus citations

Abstract

Vibrational relaxation rate constants for H2 in a bath of Ar are computed for ν = 0, 4, 6, 10, and 13 and a rotational-translational temperature of 4500 K. The relaxation rate increases by a factor of 5.5 as ν raised from 0 to 10, then decreases by 33% as ν is raised to 13. The ν dependence of the vibrational relaxation violates a linear sum rule that is required to hold for an information theoretic synthesis of state-specific rate constants from bulk relaxation data.

Original languageEnglish (US)
Pages (from-to)2430-2431
Number of pages2
JournalThe Journal of chemical physics
Volume77
Issue number5
DOIs
StatePublished - 1982

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Copyright 2017 Elsevier B.V., All rights reserved.

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