Generation of molecular symmetry orbitals for the point and double groups

DOI10.1016/J.CPC.2005.03.112MaRDI QIDQ709807zbMATH OpenOpenAlexFDO

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

zbMATH Keywords

projection operatoratomic and molecular orbitaldouble grouppoint groupsymmetry orbital

Mathematics Subject Classification ID

Molecular physics (81V55)

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Cites work

• scientific article; zbMATH DE number 47257 (Why is no real title available?)
• scientific article; zbMATH DE number 50102 (Why is no real title available?)
• 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
• scientific article; zbMATH DE number 4004475 (Why is no real title available?)

Describes a project that uses

Uses Software

• BETHE
• Maple

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