DocumentCode
2715585
Title
Calculation of terahertz active normal modes in organic crystals
Author
Burnett, Andrew D. ; Kendrick, John ; Cunningham, John E. ; Pearson, Arwen R. ; Linfield, Edmund H. ; Davies, A. Giles
Author_Institution
Sch. of Electron. & Electr. Eng., Univ. of Leeds, Leeds, UK
fYear
2010
fDate
5-10 Sept. 2010
Firstpage
1
Lastpage
2
Abstract
Many organic compounds exhibit characteristic absorption features in the terahertz (THz) frequency range. Yet, the precise origin of these features is still, in most cases, unknown. This paper shows how solid-state density functional theory can be used to understand the origin of THz spectra in organic crystals, and calculate the THz active normal modes.
Keywords
density functional theory; organic compounds; terahertz wave spectra; vibrational modes; absorption features; organic compounds; organic crystals; solid-state density functional theory; terahertz active normal modes; Chemicals; Compounds; Crystals; Explosives; Spectroscopy; Vibrations;
fLanguage
English
Publisher
ieee
Conference_Titel
Infrared Millimeter and Terahertz Waves (IRMMW-THz), 2010 35th International Conference on
Conference_Location
Rome
Print_ISBN
978-1-4244-6655-9
Type
conf
DOI
10.1109/ICIMW.2010.5612759
Filename
5612759
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