| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5383907 | Chemical Physics Letters | 2011 | 6 Pages |
Abstract
âºWe introduce explicitly correlated multi reference (MR) coupled cluster (CC) method. ⺠We combine the Brilouin-Wigner MR-CC with the F12 approach with STG. ⺠The new MR BW-CCSD-F12 approach was tested for H4 model and F2 dissociation. ⺠Faster convergence towards basis set limit is achieved with MR BW-CCSD-F12.
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Authors
Stanislav Kedžuch, OndÅej Demel, JiÅà Pittner, Seiichiro Ten-no, Jozef Noga,