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Lehrstuhl für Materialsimulation

Lehrstuhl für Materialsimulation

Prof. Dr. Martin Müser

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Cauchy violation and charge-transfer potentials

S. V. Sukhomlinov and M. H. Müser,
Charge-transfer potentials for ionic crystals: Cauchy violation, LO-TO splitting, and the necessity of an ionic reference state,
J. Chem. Phys. 143, 224101 (2015).
DOI: 10.1063/1.4936575
accepted version

Posted on August 27, 2015September 14, 2017Author Andres LangenbahnCategories PublicationsTags Force Field Development

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