What is it about?

The paper presents the precise measurement together with the calculation from first principles of the Raman spectrum of low albite. The very close agreement of the calculated and experimental spectra, allowed for a very reliable assignement of all of the observed Raman signals to specific patterns of atomic motion (normal modes).

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Why is it important?

The calculation of the Raman spectrum is here performed with a very high level of accuracy. In comparison to other older computational works (using model potentials), no doubts are left here concerning the assignement of all of the observed Raman signals.

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This page is a summary of: A comparison betweenab initiocalculated and measured Raman spectrum of triclinic albite (NaAlSi3O8), Journal of Raman Spectroscopy, March 2015, Wiley,
DOI: 10.1002/jrs.4670.
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