Reaction probability electric field methods

Calculation of the electric field dependence of the escape probability for boundary conditions other than Eq. (11b) with 7 = 0 poses a serious theoretical problem. For the partially reflecting boundary condition imposed at a nonzero R, some analytical treatments were presented by Hong and Noolandi [11]. However, their theory was not developed to the level, where concrete results of (p(ro,F) for the partially diffusion-controlled geminate recombination could be obtained. Also, in the most general case, where the reaction is represented by a sink term, the analytical treatment is very complicated, and the only practical way to calculate the field dependence of the escape probability is to use numerical methods. 

A more affordable alternative is to treat the solvent as a continuous medium with the commonly named continuum methods. Among this type of methods, probably the most widely used is the Self-Consistent Reaction Field (SCRF) [78], which considers the solvent as a uniform polarizable medium with a dielectric constant s, and with the solute placed in a suitable shaped hole in the medium. In this method, the electric charge distribution of the solute polarizes the medium, which in turn acts back on the solute, thereby producing an electrostatic stabilization. This process is iteratively repeated until the mutual polarization between the solute and solvent achieves the self-consistency. ... 

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