| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5384589 | Chemical Physics Letters | 2011 | 7 Pages |
Abstract
⺠A restricted open-shell reference wavefunction composite approach is introduced. ⺠RO-ccCA removes spin contamination. ⺠Substantial improvement in energetic prediction occurs for open-shell systems.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
T. Gavin Williams, Nathan J. DeYonker, Bryan S. Ho, Angela K. Wilson,