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...

詳細記述

書誌詳細
主要な著者: Domene, C, Fowler, P, Wilson, M, Madden, P
フォーマット: Journal article
言語:English
出版事項: 2002