Comparison of a nonlocal dielectric model with a discontinuous model

L. Ridgway Scott; Yi Jiang; Xie Dexuan. 30 July, 2015.
Communicated by L. Ridgway Scott.


We compare local and nonlocal dielectric models for the electric potential around a solute. We choose a water molecule as solute so that the comparisons can be related to the behavior of bulk water. We see that, near the solute, the two models give predictions that differ by an order of magnitude, although the difference diminishes away from the solute. We also compare the two models for the prediction of the electric potential around the protein BPTI.

Original Document

The original document is available in PDF (uploaded 30 July, 2015 by L. Ridgway Scott).