Modelling intra- and intermolecular vibrations under the harmonic oscillator approximation: from symmetry-adapted to coarse-grained coordinate approaches

DOI10.1007/S10910-016-0692-XzbMath1381.92114OpenAlexW2524238299MaRDI QIDQ1704724

Hirohiko Houjou

Publication date: 13 March 2018

Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/s10910-016-0692-x

zbMATH Keywords

principal component analysisharmonic oscillatornormal-mode analysiscoarse-graininglattice dynamicsintermolecular vibration

Mathematics Subject Classification ID

Chemistry (92E99) Linear vibration theory (70J99)

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