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• W2751859966 abstract "We develop a rigorous framework for modelling the geometry equilibration of crystalline defects. We formulate the equilibration of crystal defects as a variational problems on a discrete energy space and establish qualitatively sharp far-field decay estimates for the equilibrium configuration. This work extends Ehrlacher, Ortner, Shapeev (2016) by admitting infinite-range interaction which in particular includes some quantum chemistry based interatomic potentials." @default.
• W2751859966 created "2017-09-15" @default.
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• W2751859966 date "2017-09-08" @default.
• W2751859966 modified "2023-09-26" @default.
• W2751859966 title "Geometry Equilibration of Crystalline Defects in Quantum and Atomistic Descriptions" @default.
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• W2751859966 doi "https://doi.org/10.48550/arxiv.1709.02770" @default.
• W2751859966 hasPublicationYear "2017" @default.
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