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Knowles Partitioning at the Multireference Level
Ágnes Szabados1, András Gombás1, Péter R Surján1
1Laboratory of Theoretical Chemistry, Institute of Chemistry, Faculty of Science, ELTE Eötvös Loránd University, H-1518 Budapest 112, Budapest P.O.B. 32, Hungary.
Abstract:
A multireference generalization of the partitioning introduced recently by Knowles (J. Chem. Phys. 2022 156, 011101) is presented with the aim to study electronic systems at a medium level of correlation. The multireference formalism applied is the general framework of multiconfiguration perturbation theory (MCPT).
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