Analysis of the Extended Coupled-Cluster Method in Quantum Chemistry

DOI10.1137/17M1116611zbMath1397.81009arXiv1702.04317OpenAlexW4243402866MaRDI QIDQ4609523

Andre Laestadius, Simen Kvaal

Publication date: 4 April 2018

Published in: SIAM Journal on Numerical Analysis (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/1702.04317

zbMATH Keywords

error estimatesquantum chemistryuniqueness and existencecoupled-cluster methodbivariational principleextended coupled-cluster method

Mathematics Subject Classification ID

General theory of numerical analysis in abstract spaces (65J05) Computational methods for problems pertaining to quantum theory (81-08) Molecular physics (81V55)

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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 ⋮ Coupled Cluster Theory: Toward an Algebraic Geometry Formulation ⋮ 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

Cites Work

• Analysis of the projected coupled cluster method in electronic structure calculation
• The continuous Coupled Cluster formulation for the electronic Schrödinger equation
• Short-range correlations in nuclear wave functions
• Regularity, Complexity, and Approximability of Electronic Wavefunctions
• Error estimates for the Coupled Cluster method
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