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