Metastable Molecules in Ground and Excited States: Theory Development, Implementation and Applications
Abstract
This work performed for the AFOSR has three primary components: (1) Development of new quantum theory for the accurate description of molecular structure and spectra. (2) Implementation of this new theory into general purpose computer programs (ACES II) to make it possible for many investigators, besides ourselves, to readily apply these new methods to problems of their interest. (3) Application of these new methods to high energy, density molecules, assessing their energy content, stability, possible synthetic paths, activation barriers, and providing spectroscopic fingerprints for identification. Section II summarizes some of the highlights of our work for the past two years. The references refer exclusively to the recent papers published under this grant, listed in Section III. Section IV shows the invited presentations assisted by this grant. Sections V and VI report the students and postdocs supported under this work and the recognition's we've received.
Document Details
- Document Type
- Technical Report
- Publication Date
- Oct 31, 2000
- Accession Number
- ADA396448
Entities
People
- Rodney J. Bartlett
Organizations
- University of Florida