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. Author manuscript; available in PMC: 2008 Jun 16.
Published in final edited form as: J Chem Phys. 2007 Mar 28;126(12):124114. doi: 10.1063/1.2714528

Figure 8.

Figure 8

Analytic and finite-difference gradients for a neutral, polarizable cavity fixed at the origin and a sphere with unit positive charge vs. separation using the direct polarization model. Both spheres have a radius of 3.0 Å. The gradient can be seen to approach zero at a number of points, notably when the spheres are separated by approximately 1.5 Å leading to a maximum in the reaction field produced by the charge at the polarizable site, and again when the spheres are superimposed and the reaction field is zero at the polarizable site.