| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5383218 | Chemical Physics Letters | 2012 | 6 Pages |
Abstract
⺠We implement the EOMEA-CCSD approach with spin-orbit coupling. ⺠Time-reversal symmetry is exploited to reduce computational effort. ⺠We study open-shell systems containing heavy elements with this approach. ⺠This approach can describe SOC effects with reasonable accuracy.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Dong-Dong Yang, Fan Wang, Jingwei Guo,