Analysis of the Tailored Coupled-Cluster Method in Quantum Chemistry

DOI10.1137/18M1171436zbMath1435.81069arXiv1802.05699OpenAlexW3098790948MaRDI QIDQ5244391

Fabian M. Faulstich, Andre Laestadius, Reinhold Schneider, Simen Kvaal, Örs Legeza

Publication date: 21 November 2019

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

Full work available at URL: https://arxiv.org/abs/1802.05699

zbMATH Keywords

error estimatesexistence and uniquenesstensor network statesdensity matrix renormalization group methodmultireference coupled-cluster methodtailored coupled-cluster method

Mathematics Subject Classification ID

Classification and discrimination; cluster analysis (statistical aspects) (62H30) Error bounds for boundary value problems involving PDEs (65N15) Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Renormalization group methods in equilibrium statistical mechanics (82B28) Existence problems for PDEs: global existence, local existence, non-existence (35A01) Molecular physics (81V55) Quantum coherence, entanglement, quantum correlations (81P40) Uniqueness problems for PDEs: global uniqueness, local uniqueness, non-uniqueness (35A02)

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Coupled-Cluster theory revisited ⋮ Coupled-Cluster theory revisited ⋮ Low-rank tensor methods for partial differential equations ⋮ 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 18--24, 2018

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