Multireference Double Electron Attached Coupled Cluster Method with Full Inclusion of the Connected Triple Excitations: MR-DA-CCSDT
The multireference (MR) double electron attached (DA) coupled cluster (CC) method with full inclusion of the connected triple excitations has been applied to study various kinds of MR situations. The MR-DA-CCSDT (S, Singles; D, Doubles; T, Triples) equations have been derived and implemented in an e...
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Published in | Journal of chemical theory and computation Vol. 7; no. 10; pp. 3088 - 3096 |
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Main Authors | , , |
Format | Journal Article |
Language | English |
Published |
United States
American Chemical Society
11.10.2011
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Subjects | |
Online Access | Get full text |
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