Coupled-Cluster Theory Revisited. Part I: Discretization

Abstract

In a series of two articles, we propose a comprehensive mathematical framework for Coupled-Cluster-type methods. These methods aim at accurately solving the many-body Schrodinger equation. In this first part, we rigorously describe the discretization schemes involved in Coupled-Cluster methods using graph-based concepts. This allows us to discuss different methods in a unified and more transparent manner, including multireference methods. Moreover, we derive the single-reference and the Jeziorski-Monkhorst multireference Coupled-Cluster equations in a unified and rigorous manner.

Published in ESAIM: M2AN, Volume 57, Number 2, March-April 2023, Pages 645 -670

References in corpus (3)

• Geometric methods for nonlinear many-body quantum systems
• Excited States From State Specific Orbital Optimized Pair Coupled Cluster
• Existence of Hartree-Fock excited states for atoms and molecules