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Flexible Ansatz for <i>N</i>-Body Perturbation Theory

Ramón Alain Miranda‐Quintana, Taewon D. Kim, Rugwed A. Lokhande, Michelle Richer, Gabriela Sánchez‐Díaz, Pratiksha B. Gaikwad, Paul W. Ayers

2024The Journal of Physical Chemistry A10 citationsDOI

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 equations are well-behaved across a wide range of conditions, including static correlation-dominated configurations and highly nonlinear wave functions.

Topics & Concepts

AnsatzPerturbation (astronomy)Perturbation theory (quantum mechanics)Nonlinear systemWave functionPhysicsPoincaré–Lindstedt methodHierarchyMathematicsClassical mechanicsMathematical analysisMathematical physicsQuantum mechanicsEconomicsMarket economyPhysics of Superconductivity and MagnetismCold Atom Physics and Bose-Einstein CondensatesQuantum, superfluid, helium dynamics