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Coupling term derivation and general implementation of state-specific multireference coupled cluster theories

โœ Scribed by Evangelista, Francesco A.; Allen, Wesley D.; Schaefer, Henry F.


Book ID
115470697
Publisher
American Institute of Physics
Year
2007
Tongue
English
Weight
526 KB
Volume
127
Category
Article
ISSN
0021-9606

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## Abstract We have tested the linked version of a iterative (partial) triples correction for the Jeziorskiโ€Monkhorst ansatz based stateโ€specific multireference coupled cluster (SSโ€MRCC) approach with singles and doubles (SD) excitations [abbreviated as SSโ€MRCCSDTโ€1a and SSโ€MRCCSDTโ€1a+d]. The asses