Transferable ionic simulation models from ab initio calculations

Transferable ionic simulation models from ab initio calculations

Extended ionic models are discussed which account for an ion's response to the environment (for example, polarisation or a change in size and shape) and hence introduce a many-body character. Large-scale simulations are shown to be possible within this framework. The development of high level a...

Полное описание

Библиографические подробности
Главный автор:	Wilson, M
Формат:	Conference item
Опубликовано:	2000

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