Title: Eigenvalues of Huckel systems of equivalent points
Authors: Fowler, PW ×
Ceulemans, Arnout
Chibotaru, Liviu #
Issue Date: 6-Feb-2000
Publisher: North-Holland Pub. Co.
Series Title: Discrete mathematics vol:212 issue:1-2 pages:75-90
Abstract: Three methods of solving secular equations for highly symmetric systems are compared. In the matrix method, coset and double coset expansions with subduction-adapted basis sets give maximum benefit for sub-regular orbits. Reduction to characters takes an especially simple form for a framework that spans the regular orbit of a point group. Both these and the lattice group method are intimately linked to the work of Frobenius on group determinants, (C) 2000 Elsevier Science B.V. All rights reserved.
ISSN: 0012-365X
Publication status: published
KU Leuven publication type: IT
Appears in Collections:Quantum Chemistry and Physical Chemistry Section
× corresponding author
# (joint) last author

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