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À propos de : Coupled-Cluster theory revisited        

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  • Part I: Discretization
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  • Coupled-Cluster theory revisited
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  • 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 Schrödinger 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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  • m2an220133
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  • © The authors. Published by EDP Sciences, SMAI 2023
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  • The authors. Published by EDP Sciences, SMAI
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