| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5374464 | Chemical Physics | 2012 | 8 Pages |
Abstract
⺠We perform ab initio calculations of NeBr2 PES's in valence excited states. ⺠The ab initio PES's and couplings are used in subsequent WP calculations. ⺠These WP calculations model the competition between EP and VP. ⺠The WP results using the ab initio data agree well with experimental results.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Ramón Hernández-Lamoneda, Cristina Sanz-Sanz, Octavio Roncero, Jordan M. Pio, Molly A. Taylor, Kenneth C. Janda,