Non-orthogonal spin-adaptation and application to coupled cluster up to quadruple excitations
The theory of non-orthogonal spin-adaptation for closed-shell molecular systems is presented, with an emphasis on application to the coupled cluster family of electronic structure methods. To aid in the derivation of efficient and compact working equations, a new diagrammatic interpretation of the G...
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| Format: | Others |
| Language: | en |
| Published: |
2014
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| Online Access: | http://hdl.handle.net/2152/26879 |