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

J Chem Theory Comput. 2022 May 10;18(5):2955-2958. doi: 10.1021/acs.jctc.2c00120. Epub 2022 Apr 20.

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 dressed two-electron integrals.