Coupled-Cluster Theory Revisited. Part I: Discretization

• URL: http://arxiv.org/abs/2105.13134v4
• Date: Mon, 27 Mar 2023 11:01:24 GMT
• Title: Coupled-Cluster Theory Revisited. Part I: Discretization
• Authors: Mih\'aly A. Csirik and Andre Laestadius
• Abstract summary: We describe the discretization schemes involved in Coupled-Cluster methods using graph-based concepts. We derive the single-reference and the Jeziorski-Monkhorst multireference Coupled-Cluster equations in a unified and rigorous manner.
• Score: 0.0
• License: http://creativecommons.org/licenses/by/4.0/
• 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.

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