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...
| Päätekijät: | , |
|---|---|
| Aineistotyyppi: | Journal article |
| Kieli: | English |
| Julkaistu: |
2008
|