| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5374508 | Chemical Physics | 2012 | 7 Pages |
Abstract
⺠Performances of Kramers restricted (KR) and spin-orbit (SO), CI and CC are compared. ⺠KR-CI and CC exhibit good qualities with respect to increase in spin-orbit coupling. ⺠SOCI requires triple or quadruple excitations to generate reasonable results. ⺠SOCC shows a negligible dependence on the strength of spin-orbit coupling. ⺠Success of SOCC is due to the effective recovery of the spin-orbit energy by SOCCS.
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Authors
Inkoo Kim, Young Choon Park, Hyungjun Kim, Yoon Sup Lee,