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