The collision of two linear rotors: A scaling theoretical analysis of the H2-H2 and HF-HF systems

Andrew E. Depristo, Herschel Albert Rabitz

Research output: Contribution to journalArticle

42 Scopus citations

Abstract

The energy corrected sudden (ECS) scaling theory is applied to rotation-translation (R-T) and rotation-rotation (R-R) energy transfer in the H2-H2 and HF-HF systems. The ECS scaling predictions are in very good agreement with the exact quantal values. Two physically important results are particularly transparent in the scaling analysis: (1) The well-known effectiveness of Ortho H2 in rotational relaxation can be traced directly to the higher tensor order interactions which are also operative in para H2 for j≥2; and (2) transitions in which rotational quanta are conserved differ appreciably from those in which rotational quanta are not conserved. Scaling predictions, using different values for the average collision range lc, are compared to the exact quantal cross sections. The results indicate that essentially the same value for lc wil be determined by inspection of the dynamical solutions and by the scaling analysis. This point is of importance for future applications of the ECS scaling theory.

Original languageEnglish (US)
Pages (from-to)4685-4692
Number of pages8
JournalThe Journal of chemical physics
Volume72
Issue number9
DOIs
StatePublished - Jan 1 1980

All Science Journal Classification (ASJC) codes

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

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