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A minimal, one-parameter model of the excitonic Hamiltonian for the lightharvesting complex of purple bacteria (LH2) based on ab initio calculation ofthe excitonic energies is proposed. The set of input parameters containspositions of atoms in 27 bacteriochlorophyll pigments only. The excitationenergies, transition dipole and quadrupole moments of the bacteriochlorophyllunits were calculated by advanced multiconfigurational multireference method.In the work we investigate influence of the dipole-quadrupole interaction onthe particularities of the absorption spectra and circular dichroism and on thewave-functions localization. We demonstrate that although the spectra changesare small the dipole-quadrupole interaction term leads, however, to almostcomplete separation of the system onto two subsystems: the small B800 ring ofpigments and the large B850 ring. The latter observation is seemed essentialfor formulation of energy transport models in light harvesting complexes.

The minimal model of light harvesting complex with dipole-quadrupole interaction derived from ab initio calculation