A quasi-classical trajectory study of collisions of fast H atoms with CO using an accurate ab initio potential surface

Lynn C. Geiger*, George C Schatz, Lawrence B. Harding

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

30 Scopus citations

Abstract

The quasi-classical trajectory method is used in conjunction with a globally determined ab initio surface to study translational to vibrational excitation in collisions of hot H atoms with CO. Good agreement with experiment is obtained. Sensitivity of the results to features of the surface is analyzed.

Original languageEnglish (US)
Pages (from-to)520-525
Number of pages6
JournalChemical Physics Letters
Volume114
Issue number5-6
DOIs
StatePublished - Mar 15 1985

ASJC Scopus subject areas

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

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