The relationship between physical observables and the potential energy surface in the He-HF system

Maureen J. Smith, Herschel Albert Rabitz

Research output: Contribution to journalArticle

6 Scopus citations

Abstract

This paper examines the effect of infinitesimal functional variations in a rigid rotor He-HF potential surface on several different types of observables: inelastic cross sections, rate constants, and rotational energy level populations. The dynamics and kinetic observables studied were found to be sensitive to a large number of Legendre components of the potential with the region of highest sensitivity dependent upon the energy or temperature as well as the states related by the individual observable. Sensitivity to the entire surface tends to show a large degree of structure due to competition among sensitivities to the individual potential components. Significant information loss has been observed in the transition from microscopic to macroscopic observables.

Original languageEnglish (US)
Pages (from-to)361-372
Number of pages12
JournalChemical Physics
Volume150
Issue number3
DOIs
StatePublished - Feb 15 1991

All Science Journal Classification (ASJC) codes

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

Fingerprint Dive into the research topics of 'The relationship between physical observables and the potential energy surface in the He-HF system'. Together they form a unique fingerprint.

  • Cite this