Mixing of frenkel excitons and ionic excited states of a linear molecular crystal with two molecules in the unit cell. II. Physical consequences

Abstract

AbstractThe direct generalization of the Merrifield theory for a linear crystal with two molecules in the unit cell, presented in part I of this paper, is applied to a model crystal with nearest‐neighbour interactions. The parameters of resulting Merrifield‐type effective Hamiltonian are calculated for several parameter sets along with the intensities of the transitions induced by the mixing. The electric field dependence of the results is discussed. Differences with the Merrifield theory for a crystal with one molecule in the unit cell are pointed out.