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Flexible Ansatz for N‑Body Perturbation Theory
Journal article

Flexible Ansatz for N‑Body Perturbation Theory

Abstract

We propose a new perturbation theory framework that can be used to help with the projective solution of the Schrödinger equation for arbitrary wave functions. This Flexible Ansatz for N-body Perturbation Theory (FANPT) is based on our previously proposed Flexible Ansatz for the N-body Configuration Interaction (FANCI). We derive recursive FANPT expressions, including arbitrary orders in the perturbation hierarchy. We show that the FANPT …

Authors

Miranda-Quintana RA; Kim TD; Lokhande RA; Richer M; Sánchez-Díaz G; Gaikwad PB; Ayers PW

Journal

The Journal of Physical Chemistry A, Vol. 128, No. 17, pp. 3458–3467

Publisher

American Chemical Society (ACS)

Publication Date

May 2, 2024

DOI

10.1021/acs.jpca.4c00855

ISSN

1089-5639