Generation of molecular symmetry orbitals for the point and double groups

DOI10.1016/J.CPC.2005.03.112zbMath1196.81292OpenAlexW2033739461MaRDI QIDQ709807

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.2005.03.112

zbMATH Keywords

double groupprojection operatorpoint groupatomic and molecular orbitalsymmetry orbital

Mathematics Subject Classification ID

Molecular physics (81V55)

Uses Software

• BETHE
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Cites Work

• Use of group theory for the analysis of vibrational spectra
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