PDielec: The calculation of infrared and terahertz absorption for powdered crystals

Kendrick, J and Burnett, AD orcid.org/0000-0003-2175-1893 (2016) PDielec: The calculation of infrared and terahertz absorption for powdered crystals. Journal of Computational Chemistry, 37 (16). pp. 1491-1504. ISSN 0192-8651

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Authors/Creators:
Copyright, Publisher and Additional Information: (c) 2016, The Authors. This is an open access article under the terms of the Creative Commons Attribution License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited.
Keywords: infrared spectroscopy; terahertz spectroscopy; solid state DFT; permittivity; phonon; effective medium theory
Dates:
  • Published: 15 June 2016
  • Accepted: 9 February 2016
  • Published (online): 13 April 2016
Institution: The University of Leeds
Academic Units: The University of Leeds > Faculty of Engineering & Physical Sciences (Leeds) > School of Chemistry (Leeds) > Physical Chemistry (Leeds)
Depositing User: Symplectic Publications
Date Deposited: 11 Feb 2016 11:08
Last Modified: 11 Apr 2017 06:31
Published Version: http://dx.doi.org/10.1002/jcc.24344
Status: Published
Publisher: Wiley
Identification Number: https://doi.org/10.1002/jcc.24344
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