On the theory of vibronic structure of linear aggregates. Application to pseudoisocyanin (PIC)

P. O.J. Scherer, Sighart F. Fischer

Research output: Contribution to journalArticlepeer-review

191 Scopus citations

Abstract

A self-consistent theory for Frenkel excitons coupled to optical phonons is presented and tested by comparison with numerical calculations. As an example the spectrum of PIC is determined. It is found that the mean-field approach fails to predict accurately vibronic excitations at the upper band edges of the exciton zero- and one-phonon bands. However, a rather simple model which accounts for the spread of the lattice distortion via configuration interaction can describe these transitions quite well.

Original languageEnglish
Pages (from-to)269-283
Number of pages15
JournalChemical Physics
Volume86
Issue number3
DOIs
StatePublished - 1984

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