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 language | English |
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Pages (from-to) | 269-283 |
Number of pages | 15 |
Journal | Chemical Physics |
Volume | 86 |
Issue number | 3 |
DOIs | |
State | Published - 1984 |