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Conferences > OTST > 2007 > WA > WA3

Precise ab-initio calculation of terahertz-frequency vibrational modes in molecular crystals

Stewart J. Clark and Peter Uhd Jepsen

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Abstract

We use THz time-domain spectroscopy together with ab-initio DFPT methods to accurately predict the terahertz vibrational modes of molecular crystals. We demonstrate that vibrational modes in this region are phonon-like, strongly mixed with molecular modes.

© 2007 Optical Society of America

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