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A resolvent approach towards the electronic structure of systems constructed of chain fragments. Branched polyenes

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JournalJOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II
DatePublished - 1 Jan 1982
Issue number1
Volume78
Number of pages8
Pages (from-to)73-80
Original languageEnglish

Abstract

A resolvent approach (in the HMO approximation) towards the electronic spectra and wavefunctions of systems consisting of chain fragments has been proposed. As an application, branched polyene chains with/without bond alternation have been considered. It is shown that the branching of an infinite polyene leads to the appearance of local states, whose energies and wavefunctions have been studied extensively.

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