Atomic cluster expansion without self-interaction

DOI10.1016/J.JCP.2024.113271MaRDI QIDQ6614977zbMATH OpenFDO

Authors Timon S. Gutleb, C. Ortner

Publication date 8 October 2024

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

Full work available at URL https://doi.org/10.1016/J.JCP.2024.113271

Mathematics Subject Classification ID

Approximations and expansions (41Axx) Numerical methods for partial differential equations, boundary value problems (65Nxx) Applications of quantum theory to specific physical systems (81Vxx)

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Cites work

• A Multilevel Method for Many-Electron Schrödinger Equations Based on the Atomic Cluster Expansion
• A theoretical case study of the generalization of machine-learned potentials
• Atomic cluster expansion: completeness, efficiency and stability
• scientific article; zbMATH DE number 3139869 (Why is no real title available?)
• scientific article; zbMATH DE number 3180958 (Why is no real title available?)
• Linearization of the Product of Jacobi Polynomials. I
• Locality of interatomic forces in tight binding models for insulators
• Machine Learning and Invariant Theory
• Multivariate polynomial approximation in the hypercube
• On Polynomial Multiplication in Chebyshev Basis
• On the stability and accuracy of least squares approximations
• Polynomial approximation of symmetric functions
• QM/MM methods for crystalline defects. I: Locality of the tight binding model

Cited in

(2)

• Atomic cluster expansion: completeness, efficiency and stability
• A Multilevel Method for Many-Electron Schrödinger Equations Based on the Atomic Cluster Expansion

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