Skip to main content
. Author manuscript; available in PMC: 2022 Jul 1.
Published in final edited form as: Wiley Interdiscip Rev Comput Mol Sci. 2021 Jan 12;11(4):e1515. doi: 10.1002/wcms.1515

FIGURE 6.

FIGURE 6

LREC damping function with s = 2 and s = 3. Increasing the exponent moves the inflection point of the LREC function closer to the cutoff radius

Source: Reprinted with permission from E.G. Kratz, R.E. Duke, G.A. Cisneros, Long-range electrostatic corrections in multipolar/polarizable QM/MM simulations. Theor. Chem. Acc. 2016, 135, 166