Figure 2
From: Singlet fission for quantum information and quantum computing: the parallel JDE model
The JDE model. (a) The products of singlet fission are doubly excited states, with one electron in each frontier molecular orbital (numbered 1–4) of each chromophore (labelled A or B). The spin of each chromophore is a triplet so that \(S_A=S_B=1\). We assume that all inter-chromophore isotropic exchange interactions J (double-headed arrows) are equivalent. The intra-chromophore interaction is spin-dipole in origin and is characterized by the axial and rhombic EPR parameters, D and E, respectively. In the parallel JDE model, we assume that \(D=D_A=D_B\) and \(E=E_A=E_B\). This figure is similar in spirit to a picture presented in a recent review, though the nature of the spin-spin interactions there differs from what we present here45. (b) The parallel JDE model describes two translationally invariant chromophores that have all zero-field splitting principal axes \(\left( x',y',z'\right)\) parallel to one another. These chromophores may be covalently linked (top) or doped into a photophysically inactive host matrix (bottom).
