MOVIPAC: Vibrational spectroscopy with a robust meta-program for massively parallel standard and inverse calculations

Thomas Weymuth, Moritz P. Haag, Karin Kiewisch, Sandra Luber, Stephan Schenk, Christoph R. Jacob, Carmen Herrmann, Johannes Neugebauer, Markus Reiher. MOVIPAC: Vibrational spectroscopy with a robust meta-program for massively parallel standard and inverse calculations. Journal of Computational Chemistry, 33(27):2186-2198, 2012. [doi]

Authors

Thomas Weymuth

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Moritz P. Haag

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Karin Kiewisch

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Sandra Luber

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Stephan Schenk

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Christoph R. Jacob

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Carmen Herrmann

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Johannes Neugebauer

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Markus Reiher

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