POLARIZATION EFFECTS IN IONIC SYSTEMS FROM 1ST PRINCIPLES
A classical application of the Car-Parrinello method in the computer simulation of ionic systems is demonstrated. The induction effects in the interionic interactions are included in addition to the short-range repulsion and dispersion effects described by effective pair potentials. By representing...
| Asıl Yazarlar: | , |
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| Materyal Türü: | Journal article |
| Baskı/Yayın Bilgisi: |
1993
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