Back to Search Start Over

Flexible Ansatz for N-body Perturbation Theory

Authors :
Miranda-Quintana, Ramón Alain
Kim, Taewon D.
Lokhande, Rugwed A.
Richer, M.
Sánchez-Díaz, Gabriela
Gaikwad, Pratiksha B.
Ayers, Paul W.
Publication Year :
2023

Abstract

We propose a new Perturbation Theory framework that can be used to help with the projective solution of the Schr\"odinger 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.

Subjects

Subjects :
Physics - Chemical Physics

Details

Database :
arXiv
Publication Type :
Report
Accession number :
edsarx.2310.03096
Document Type :
Working Paper