A transferable representation of the induced multipoles in ionic crystals

Carmen Domene Nunez, Patrick W. Fowler, Mark Wilson, Paul A. Madden

Research output: Contribution to journalArticle

14 Citations (Scopus)
Original languageEnglish
Pages (from-to)3847-3865
Number of pages19
JournalMolecular Physics
Volume100
Issue number24
DOIs
Publication statusPublished - 1 Dec 2002

Keywords

  • MOLECULAR-DYNAMICS SIMULATIONS, INITIO CLUSTER CALCULATIONS, LIQUID-VAPOR INTERFACE, OVERLAP-MODEL, AB-INITIO, QUADRUPOLE POLARIZATION, INTERIONIC INTERACTIONS, ANION POLARIZABILITY, MOLTEN-SALT, HALIDE-IONS

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