Structure and Vibrational Spectra

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Structure and Vibrational Spectra

The way ab initio simulation provides the vibrational properties of crystalline compounds is described. The transverse optical (TO) and longitudinal optical (LO) branches of the infrared (IR) spectrum, the TO-LO splitting, the IR intensities, the vibrational contribution to the dielectric tensor, th...

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Bibliographic Details
Main Authors:	Dovesi, R., Ferrari, A., De La Pierre, Marco, Orlando, R., Noël, Y.
Format:	Book Chapter
Published:	Elsevier Ltd 2013
Online Access:	http://hdl.handle.net/20.500.11937/9316

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