| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5383220 | Chemical Physics Letters | 2012 | 5 Pages |
Abstract
⺠We apply universal explicit electron correlation methods (F12) to Mk-MRPT2. ⺠The basis set incompleteness is reduced significantly by this F12 correction. ⺠One F12 formulation is additive with the conventional contribution. ⺠The Mk-MRPT2-F12 formulation influences the conventional contribution directly. ⺠Pilot applications are presented.
Related Topics
Physical Sciences and Engineering
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Physical and Theoretical Chemistry
Authors
Robin Haunschild, Shuneng Mao, Debashis Mukherjee, Wim Klopper,