Use of group theory for the analysis of vibrational spectra

DOI10.1016/J.CPC.2004.06.088zbMATH Open1196.82027OpenAlexW2026698573MaRDI QIDQ709576FDOQ709576

Authors: K. Rykhlinskaya, S. 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

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zbMATH Keywords

irreducible representationnormal coordinatesRaman scatteringvibrational modesfundamental transitioninfrared absorptionpoint groupvibrational spectroscopy

Mathematics Subject Classification ID

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

Cites Work

• Title not available (Why is that?)

Cited In (4)

• Generation of molecular symmetry orbitals for the point and double groups
• Generation of Clebsch-Gordan coefficients for the point and double groups
• Symbolic computation engines and molecular modeling templates: \texttt{Maple}-assisted point group analysis of the vibrational activity of molecules
• Group-theoretic determination of normal coordinates for molecular vibration

Uses Software

• Maple

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