Coupled-Cluster theory revisited
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Publication:6044902
Abstract: In a series of two articles, we propose a comprehensive mathematical framework for Coupled-Cluster-type methods. In this second part, we analyze the nonlinear equations of the single-reference Coupled-Cluster method using topological degree theory. We establish existence results and qualitative information about the solutions of these equations that also sheds light on the numerically observed behavior. In particular, we compute the topological index of the zeros of the single-reference Coupled-Cluster mapping. For the truncated Coupled-Cluster method, we derive an energy error bound for approximate eigenstates of the Schrodinger equation.
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Cites work
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- Analysis of the extended coupled-cluster method in quantum chemistry
- Analysis of the projected coupled cluster method in electronic structure calculation
- Analysis of the tailored coupled-cluster method in quantum chemistry
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Cited in
(15)- Independent-cluster parametrizations of wave functions in model field theories. III: The coupled-cluster phase spaces and their geometrical structure
- The continuous coupled cluster formulation for the electronic Schrödinger equation
- A BIOGRAPHY OF THE COUPLED CLUSTER METHOD
- Analysis of the extended coupled-cluster method in quantum chemistry
- Analysis of the tailored coupled-cluster method in quantum chemistry
- Error estimates for the coupled cluster method
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- Coupled-Cluster theory revisited
- Analysis of the single reference coupled cluster method for electronic structure calculations: the full-coupled cluster equations
- Finite-size effects in periodic coupled cluster calculations
- Coupled Cluster Theory: Toward an Algebraic Geometry Formulation
- Mathematical methods in quantum chemistry. Abstracts from the workshop held March 9--14, 2025
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- Analysis of the projected coupled cluster method in electronic structure calculation
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