Molecular Reaction and Energy Transfer Rate Estimation for Chemical-Laser Analysis.
Abstract
This report presents the results of an investigation of methods for estimation of reaction and energy transfer rates for collisions between electronically excited atoms and molecules of the sort typically present in energetic gases such as electronic-transition chemical laser media. The research specifically dealt with ground and excited-state electronic structure and energies of molecular collision complexes. The primary result of the investigation is a systematic method, within the context of electronic-structure theory, for estimation of potential energy surfaces for molecules in electronically excited states. Keywords: Molecular collisions, Interaction energies, Molecular reaction dynamics, Electronically excited atoms.
Document Details
- Document Type
- Technical Report
- Publication Date
- Dec 01, 1987
- Accession Number
- ADA190664
Entities
People
- C. L. Beckel
- J. C. Bellum
Organizations
- University of New Mexico