Knowles Partitioning from a Stationary Condition: Single- and Multireference Case.
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DOI: 10.1021/acs.jctc.5c01147
Abstract: A stationary condition involving the first-order wave function of many-body perturbation theory (PT) is shown to lead to the partitioning introduced recently by Knowles (J. Chem. Phys., 156, 011101 (2022)). This facilitates direct generalization for… read more here.
Keywords: knowles partitioning; stationary condition; partitioning stationary; condition single ... See more keywords