State Selective Equation of Motion Coupled Cluster Theory: Some Preliminary Results
Abstract: A multireference variant of coupled cluster theory is described that applies to systems that can qualitatively be described by deleting two electrons from a closed shell determinant, for example biradicals, single bond breaking processes, or valence excited states. The theory can be genera...
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| Format: | Article |
| Language: | English |
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MDPI AG
2002-06-01
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| Series: | International Journal of Molecular Sciences |
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| Online Access: | http://www.mdpi.com/1422-0067/3/6/656/ |