Articles with "theory localized" as a keyword



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Many-Body Perturbation Theory with Localized Orbitals: Accounting for Localization Diagrams as Integral Dressing

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Published in 2022 at "Journal of Chemical Theory and Computation"

DOI: 10.1021/acs.jctc.2c00120

Abstract: We argue that the so-called localization diagrams, originating from off-diagonal Fockian elements, do not have to be dealt with explicitly in the Davidson–Kapuy many-body perturbation theory with localized orbitals but can be accounted for by… read more here.

Keywords: theory; many body; localization diagrams; body perturbation ... See more keywords