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Multireference Fock-space coupled-cluster and equation-of-motion coupled-cluster theories: The detailed interconnections

✍ Scribed by Musial, Monika; Bartlett, Rodney J.


Book ID
120186400
Publisher
American Institute of Physics
Year
2008
Tongue
English
Weight
779 KB
Volume
129
Category
Article
ISSN
0021-9606

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Fock-space multireference coupled-cluste
✍ Nayana Vaval; Keya B. Ghose; Sourav Pal; Debashis Mukherjee πŸ“‚ Article πŸ“… 1993 πŸ› Elsevier Science 🌐 English βš– 493 KB

We propose a highly correlated scheme for implementing a Fock-space multireference coupled-cluster theory for computing directly ionization potentials ( IPs). We include all the single and double excitation cluster amplitudes and certain contributions from the triples which contribute at third and f