Finite-size effects in periodic coupled cluster calculations

DOI10.1016/j.jcp.2024.112755arXiv2302.06043OpenAlexW4390674984MaRDI QIDQ6200403

Lin Lin, Xin Xing

Publication date: 29 February 2024

Published in: Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/2302.06043

zbMATH Keywords

finite-size effectsalgebraic singularitycoupled cluster theoryquadrature error estimate

Mathematics Subject Classification ID

Numerical methods for partial differential equations, boundary value problems (65Nxx) General topics in partial differential equations (35Axx) Applications of quantum theory to specific physical systems (81Vxx)

Cites Work

• Analysis of the projected coupled cluster method in electronic structure calculation
• Optimal decay of Wannier functions in Chern and quantum Hall insulators
• The continuous Coupled Cluster formulation for the electronic Schrödinger equation
• Analysis of the Tailored Coupled-Cluster Method in Quantum Chemistry
• Error estimates for the Coupled Cluster method

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