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

P. Karadakov; O. Castaño

doi:10.1039/F29827800073

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

P. Karadakov, O. Castaño

Chemistry

Research output: Contribution to journal › Article › peer-review

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.

Original language	English
Pages (from-to)	73-80
Number of pages	8
Journal	JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II
Volume	78
Issue number	1
DOIs	https://doi.org/10.1039/F29827800073
Publication status	Published - 1 Jan 1982

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

Abstract

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