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Many-body effects in ionic systems

Abstract:

The electron density of an ion is strongly influenced by its environment in a condensed phase. When the environment changes, for example due to thermal motion, non-trivial changes in the electron density, and hence the interionic interactions occur. These interactions give rise to many-body effects in the potential. In order to represent this phenomenon in molecular dynamics (MD) simulations a method has been developed in which the environmentally-induced changes in the ionic properties ar...

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Institution:
University of Oxford
Department:
Mathematical and Physical Sciences Division
Role:
Author

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Supervisor
Role:
Supervisor
Publication date:
1994
Type of award:
DPhil
Level of award:
Doctoral
Awarding institution:
University of Oxford
Barcode:
603840610
URN:
uuid:3c66daa2-5318-40d2-a445-15296d598a57
Local pid:
td:603840610

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