Error estimates for the Coupled Cluster method

DOI10.1051/m2an/2013075zbMath1297.65139OpenAlexW2069714153MaRDI QIDQ5397527

Reinhold Schneider, Thorsten Rohwedder

Publication date: 24 February 2014

Published in: ESAIM: Mathematical Modelling and Numerical Analysis (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1051/m2an/2013075

zbMATH Keywords

Galerkin methodnonlinear operator equationquantum chemistryerror estimatorsquasi-optimal convergenceelectronic Schrödinger equationcoupled cluster method

Mathematics Subject Classification ID

Plates (74K20) Estimates of eigenvalues in context of PDEs (35P15) Error bounds for boundary value problems involving PDEs (65N15) Finite element, Rayleigh-Ritz and Galerkin methods for boundary value problems involving PDEs (65N30) NLS equations (nonlinear Schrödinger equations) (35Q55) Numerical methods for eigenvalue problems for boundary value problems involving PDEs (65N25)

Related Items (9)

Coupled-Cluster theory revisited ⋮ 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 ⋮ Analysis of the Extended Coupled-Cluster Method in Quantum Chemistry ⋮ An analysis for the DIIS acceleration method used in quantum chemistry calculations ⋮ Mathematical methods in quantum chemistry. Abstracts from the workshop held March 18--24, 2018 ⋮ Analysis of the Tailored Coupled-Cluster Method in Quantum Chemistry ⋮ Sparse grids approximation of Goldstone diagrams in electronic structure calculations

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