Orbits and induced representations in the quantum chemistry of nanostructures

Induced representations are applied to analyze the structures and electronic configurations of complex chemical systems with symmetry subgroups. A correlation is established between the local atomic symmetry and the number of equivalent atoms in a nanoparticle. A procedure is developed for finding a...

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Bibliographic Details
Published in:Russian journal of inorganic chemistry 2009-08, Vol.54 (8), p.1273-1276
Main Authors: Yarzhemsky, V. G, Murav'ev, E. N
Format: Article
Language:English
Subjects:
Chemistry
Chemistry and Materials Science
Electronic Structure
Inorganic Chemistry
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Summary:Induced representations are applied to analyze the structures and electronic configurations of complex chemical systems with symmetry subgroups. A correlation is established between the local atomic symmetry and the number of equivalent atoms in a nanoparticle. A procedure is developed for finding additive quantum numbers for molecular orbitals based on the transitivity of induction.
ISSN:0036-0236
1531-8613
DOI:10.1134/S0036023609080154