Flexible Ansatz for N-Body Perturbation Theory Journal Articles uri icon

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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.

authors

  • Miranda-Quintana, Ramón Alain
  • Kim, Taewon D
  • Lokhande, Rugwed A
  • Richer, M
  • Sánchez-Díaz, Gabriela
  • Gaikwad, Pratiksha B
  • Ayers, Paul

publication date

  • May 2, 2024