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Flexible Ansatz for N-body Perturbation Theory
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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 wavefunctions. This Flexible Ansatz for N-body Perturbation Theory (FANPT) is based on our previously proposed Flexible Ansatz for N-body Configuration Interaction (FANCI). We derive recursive FANPT expressions including arbitrary orders in the perturbation hierarchy. We show that the FANPT equations are well-behaved across a wide range of conditions, including static correlation-dominated configurations and highly non-linear wavefunctions.

Authors

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

Publication date

October 4, 2023

DOI

10.48550/arxiv.2310.03096

Preprint server

arXiv
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