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Multireference coupled cluster theory in Fock space

โœ Scribed by C. M. L. Rittby; R. J. Bartlett


Book ID
105078787
Publisher
Springer
Year
1991
Tongue
English
Weight
636 KB
Volume
80
Category
Article
ISSN
1432-2234

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Fock-space multireference coupled-cluste
โœ Nayana Vaval; Keya B. Ghose; Sourav Pal; Debashis Mukherjee ๐Ÿ“‚ Article ๐Ÿ“… 1993 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 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