| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5382917 | Chemical Physics Letters | 2012 | 6 Pages |
Abstract
⺠We investigate the potential of MRCC for studying molecules of non-trivial sizes. ⺠We find that MRCC is successful for dodecane, naphthynes, and polycarbenes. ⺠We find that MRCC successfully deals with near degeneracies in bond breaking. ⺠We find that MRCC successfully deals with near degeneracies in radical systems.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
JiÅÃ Brabec, Kiran Bhaskaran-Nair, Karol Kowalski, JiÅÃ Pittner, Hubertus J.J. van Dam,