The connection between experimental observables and the potential energy surface in the He-HT system

Maureen J. Smith, Herschel Albert Rabitz

Research output: Contribution to journalArticle

4 Scopus citations

Abstract

The effect of infinitesimal functional variations in a rigid rotor He-HT potential surface on several different types of observables - inelastic cross sections, rate constants, and rotational energy level populations - is examined. The dynamic and kinetic observables studied were found to be most sensitive to the V1 (r) component 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 more structure due to interference among sensitivities to the individual potential components. While a reasonable amount of information on the underlying potential is retained, significant information loss has been observed in the transition from the microscopic observables to the macroscopic ones.

Original languageEnglish (US)
Pages (from-to)117-128
Number of pages12
JournalChemical Physics
Volume148
Issue number1
DOIs
StatePublished - Nov 15 1990

All Science Journal Classification (ASJC) codes

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

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