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Calculation of crystal Raman intensities using non‐isotropic polarizabilities
Author(s) -
Pagnier T.,
Lucazeau G.
Publication year - 1997
Publication title -
journal of raman spectroscopy
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.748
H-Index - 110
eISSN - 1097-4555
pISSN - 0377-0486
DOI - 10.1002/(sici)1097-4555(199712)28:12<999::aid-jrs195>3.0.co;2-n
Subject(s) - raman spectroscopy , polarizability , isotropy , anisotropy , crystal (programming language) , raman scattering , molecular physics , chemistry , atomic physics , optics , physics , molecule , computer science , organic chemistry , programming language
A new method is provided for the calculation of Raman intensities. Atomic polarizabilities are used as parameters to reproduce the experimental intensities. The method was applied to an MgF 2 signal crystal. It is shown that the use of anisotropic atomic polarizabilities allows the simulation of both the cell polarizability and the Raman spectrum of MgF 2 . © 1997 by John Wiley & Sons, Ltd.