Fock-space multireference coupled-cluste
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Nayana Vaval; Keya B. Ghose; Sourav Pal; Debashis Mukherjee
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Article
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1993
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Elsevier Science
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English
β 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