Electron and vibrational spectroscopies using DFT, plane waves and pseudopotentials: CASTEP implementation

Published 2010 View Full Article

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Title
Electron and vibrational spectroscopies using DFT, plane waves and pseudopotentials: CASTEP implementation
Authors
Keywords
-
Journal
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
Volume 954, Issue 1-3, Pages 22-35
Publisher
Elsevier BV
Online
2010-01-15
DOI
10.1016/j.theochem.2009.12.040

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