Electronic Excitations and Electron Transfer Coupling within the Bacterial Reaction Center Based on an INDO/S-CI Supermolecule Approach including 615 Atoms
A representative part of the reaction center of Rhodopseudomonas viridis consisting of four bacteriochlorophylls, two pheophytins, one menaquinon, seven protein residues and two water molecules is treated as a supermolecule by means of an INDO-S/CI program. The electronic coupling matrix elements for the initial charge separation are determined. Optical absorption, linear dichroism and dectrochromicity spectra are evaluated on the basis of an extended exciton model which accounts for charge transfer states within the special pair dimer.
KeywordsCharge Transfer State Linear Dichroism Reaction Center Complex Dime Band Photosynthetic Bacterial Reaction
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