Fluctuating ionic polarizabilities in the condensed phase: first-principles calculations of the Raman spectra of ionic melts
An approach to calculating Raman spectra of ionic materials from first principles is described; the method is applicable to molten systems which cannot be treated by summing the contributions from normal modes of vibration. The approach offers a way to validate a simulation by comparison with a Rama...
| Main Authors: | , |
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| Format: | Journal article |
| Language: | English |
| Published: |
2008
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