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 language | English (US) |
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Pages (from-to) | 361-372 |
Number of pages | 12 |
Journal | Chemical Physics |
Volume | 150 |
Issue number | 3 |
DOIs | |
State | Published - Feb 15 1991 |
All Science Journal Classification (ASJC) codes
- General Physics and Astronomy
- Physical and Theoretical Chemistry