Molecular Interactions and Properties with Many-Body Methods
Abstract
A variety of Air Force applications require highly detailed information about atoms, molecules, and their interactions. This information is necessary in problems ranging from chemical laser development, to the detection and identification of rocket plumes, to non-linear optics electron beam technology, and high density and energy fuels. The crucial component needed to understand molecular reactions is the potential energy surfaces (PES) that serve to describe the attractions among the atoms and molecules. However, such information is not easy to obtain. In many cases, the most direct approach to obtaining accurate potential surfaces for molecules, and detailed information about their excited states, vibrational spectra, and a wealth of other quantities, is high level ab initio solutions of the Schrodinger equation.
Document Details
- Document Type
- Technical Report
- Publication Date
- Nov 30, 1992
- Accession Number
- ADA261688
Entities
People
- Rodney J. Bartlett
Organizations
- University of Florida