Journal article
Fluctuating ionic polarizabilities in the condensed phase: first-principles calculations of the Raman spectra of ionic melts
- Abstract:
-
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 Raman spectrum; for many materials under extreme conditions of temperature or pressure, Raman spectroscopy may be the only practicable experimental window on the structure at the atomic scale. The meth...
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- Publication status:
- Published
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Bibliographic Details
- Journal:
- MOLECULAR PHYSICS
- Volume:
- 106
- Issue:
- 12-13
- Pages:
- 1703-1719
- Publication date:
- 2008-01-01
- DOI:
- EISSN:
-
1362-3028
- ISSN:
-
0026-8976
- Source identifiers:
-
416066
Item Description
- Language:
- English
- Keywords:
- Pubs id:
-
pubs:416066
- UUID:
-
uuid:9f43fedd-314d-46a0-9064-44d9c818e428
- Local pid:
- pubs:416066
- Deposit date:
- 2013-11-16
Terms of use
- Copyright date:
- 2008
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