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...
| Үндсэн зохиолч: | |
|---|---|
| Формат: | Conference item |
| Хэвлэсэн: |
2000
|