Probing vibrational coupling via a grid-based quantum approach - an efficient strategy for accurate calculations of localized normal modes in solid-state systems - researchr publication authors

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Ulrich Kuenzer, Martin Klotz, Thomas S. Hofer. Probing vibrational coupling via a grid-based quantum approach - an efficient strategy for accurate calculations of localized normal modes in solid-state systems. Journal of Computational Chemistry, 39(26):2196-2209, 2018. [doi]

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