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...
| المؤلف الرئيسي: | |
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| التنسيق: | Conference item |
| منشور في: |
2000
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