A new structural tensor surface harmonic bonding theory
The tensor surface harmonic method for the treatment of bonding in clusters is refined to take the positions of the atoms into account explicitly. Formulae are derived which greatly increase the accuracy and range of applicability of the original treatment. The method is applied to molecules belonging to both axial and non-axial point groups.
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Document Type: Research Article
Affiliations: University Chemical Laboratories, Lensfield Road, Cambridge, England
Publication date: 1987-06-20