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Application of theU(3) symmetric matrices algebra to molecular problems
Authors:Carlos G Bollini  Juan J Giambiagi  Mario Giambiagi  Myriam S de Giambiagi
Institution:(1) Centro Brasileiro de Pesquisas Físicas, Av. Wenceslau Braz, 71-fundos, 22290 Rio de Janeiro, RJ, Brasil
Abstract:The application of some properties of theU(3) basis algebra to the calculation of the SC pgr bond matrix order is shown, for certain states of 6-electron molecular systems possessing a twofold symmetry axis not passing through any pgr center. Pyridazine is used as a numerical example.
Keywords:Bond order  U(3) algebra  pgr excited states" target="_blank">gif" alt="pgr" align="BASELINE" BORDER="0"> excited states
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