Polarization effects in the simulation of lead (II) fluoride

Polarization effects in the simulation of lead (II) fluoride

An interionic potential to describe the interactions in PbF2 is constructed from ab initia calculations. The potential is based upon formal ionic charges and includes polarization effects arising from the induced dipoles on both anions and cations. The cation polarization effects are shown to be cru...

Полное описание

Библиографические подробности
Главные авторы:	Castiglione, M, Wilson, M, Madden, P
Формат:	Journal article
Язык:	English
Опубликовано:	1999

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