Vibration-rotation relaxation in bimolecular collisions with application to para-hydrogen

Ramakrishna Ramaswamy, Herschel Rabitz

Research output: Contribution to journalArticlepeer-review

18 Scopus citations

Abstract

Three-dimensional quantum mechanical calculations in the effective potential approximation have been made on the para-hydrogen system. At low temperatures, vib-rotationally inelastic collisions were examined while breathing sphere calculations were used to probe the high-temperature regime. It was found that simultaneous vibrational and rotational processes contribute to the overall mechanism of vibrational relaxation. Collisionally induced intra- and intermolecular energy transfer is possible in the present calculation, and the corresponding cross sections are examined in detail. Rates are calculated from the cross sections and compared with experiment.

Original languageEnglish (US)
Pages (from-to)152-159
Number of pages8
JournalThe Journal of chemical physics
Volume66
Issue number1
DOIs
StatePublished - Jan 1 1976

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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