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...
| Main Authors: | , , , , |
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| Format: | Book Chapter |
| Published: |
Elsevier Ltd
2013
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| Online Access: | http://hdl.handle.net/20.500.11937/9316 |