The construction of a reliable potential for GeO2 from first principles
The construction of a reliable potential for GeO2 from first principles is described. The obtained potential, which includes dipole polarization effects, is able to reproduce all the studied properties (structural, dynamical and vibrational) to a high degree of precision with a single set of paramet...
| Autori principali: | , , , , |
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| Natura: | Journal article |
| Lingua: | English |
| Pubblicazione: |
2009
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