The Gaussian Approximation Potential

DOI10.1007/978-3-642-14067-9zbMath1195.81044OpenAlexW1620197873MaRDI QIDQ3579873

Albert Bartók-Pártay

Publication date: 11 August 2010

Published in: Springer Theses (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/978-3-642-14067-9

zbMATH Keywords

Gaussian approximationlattice dynamicsinteratomic potentials

Mathematics Subject Classification ID

Statistical mechanics of crystals (82D25) Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Research exposition (monographs, survey articles) pertaining to quantum theory (81-02) Computational methods for problems pertaining to quantum theory (81-08) Atomic physics (81V45)

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Spectral neighbor analysis method for automated generation of quantum-accurate interatomic potentials

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