State Selective Equation of Motion Coupled Cluster Theory: Some Preliminary Results
نویسندگان
چکیده
منابع مشابه
State Selective Equation of Motion Coupled Cluster Theory: Some Preliminary Results
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 generalized to arbitrary open-shell systems and takes a form that is akin to equation-of-motion coupled cluster t...
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ژورنال
عنوان ژورنال: International Journal of Molecular Sciences
سال: 2002
ISSN: 1422-0067
DOI: 10.3390/i3060656