Use of group theory for the analysis of vibrational spectra

DOI10.1016/J.CPC.2004.06.088zbMath1196.82027OpenAlexW2026698573MaRDI QIDQ709576

K. Rykhlinskaya, Stephan Fritzsche

Publication date: 18 October 2010

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.cpc.2004.06.088

zbMATH Keywords

irreducible representationRaman scatteringnormal coordinatesvibrational modesfundamental transitioninfrared absorptionpoint groupvibrational spectroscopy

Mathematics Subject Classification ID

Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10) Software, source code, etc. for problems pertaining to group theory (20-04) Software, source code, etc. for problems pertaining to statistical mechanics (82-04)

Related Items (2)

Generation of molecular symmetry orbitals for the point and double groups ⋮ Generation of Clebsch-Gordan coefficients for the point and double groups

Uses Software

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Cites Work

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