A transferable representation of the induced multipoles in ionic crystals

A transferable representation of the induced multipoles in ionic crystals

Electronic structure calculations of the induced dipole and quadrupole moments on a fluoride ion at low symmetry sites in a model crystalline environments are described. The results are used to characterize the short range contributions to the induced multipoles on the F- ion that arise from overlap...

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Bibliografiske detaljer
Main Authors:	Domene, C, Fowler, P, Wilson, M, Madden, P
Format:	Journal article
Sprog:	English
Udgivet:	2002

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