AB-INITIO INVESTIGATION OF TERAHERTZ VIBRATIONAL MODES IN MOLECULAR CRYSTALS

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2008

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Ohio State University

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We use the CASTEP ab-initio density-functional perturbation theory code} 567 (2005)} to investigate the properties of terahertz-frequency vibrational modes in crystalline systems. We will discuss the strong mixing of molecular and phonon modes in hydrogen-bonded crystals} 275 (2007)}, and also discuss ongoing work where we study nonlinear interaction between intense THz light and molecular crystals.

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S. J. Clark, et al., Z. Kristallographie 220,P. Uhd Jepsen and S. J. Clark, Chem. Phys. Lett. 442,
Author Institution: Department of Photonics Engineering, Technical University of Denmark, DK-2800 Kongens Lyngby, Denmark; Department of Physics, University of Durham, Durham DH1 3LE, United Kingdom

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http://hdl.handle.net/1811/33164

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Abstracts of OSU International Symposium on Molecular Spectroscopy 2000-2009