Generation of molecular symmetry orbitals for the point and double groups

DOI10.1016/J.CPC.2005.03.112zbMATH Open1196.81292OpenAlexW2033739461MaRDI QIDQ709807FDOQ709807

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.2005.03.112

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zbMATH Keywords

projection operatoratomic and molecular orbitaldouble grouppoint groupsymmetry orbital

Mathematics Subject Classification ID

Molecular physics (81V55)

Cites Work

• Title not available (Why is that?)
• Title not available (Why is that?)
• Use of group theory for the analysis of vibrational spectra

Cited In (5)

• Generating basis sets of double differences
• Symbolic computation engines and molecular modeling templates: \texttt{Maple}-assisted point group analysis of the vibrational activity of molecules
• Symmetrical overlap transformations of function basis sets: the LCAO MO and quantum similarity practical cases
• A topological geometric method for the obtention of symmetry-adapted functions for point groups. IV: The dihedral groups
• Title not available (Why is that?)

Uses Software

• Maple
• BETHE

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