Skip to main content
. Author manuscript; available in PMC: 2010 Jan 22.
Published in final edited form as: Chem Phys Lett. 2009 Jan 22;468(4-6):112–118. doi: 10.1016/j.cplett.2008.12.049

Table 2.

Accuracy and precision of reaction field forces (in e2/Å2) with respect to dielectric interface treatments.

d 1/h
FqE0
 IIM−Singularity
 HA ± Singularity
F̅qE σ δMax F̅qE σ δMax
0.25 4 0.031647 0.031641 0.000003 0.000012 0.031729 0.000107 0.000297
0.25 8 0.031647 0.031645 0.000001 0.000003 0.031664 0.000029 0.000067
0.25 16 0.031647 0.031646 0.000000 0.000001 0.031650 0.000007 0.000017
1.00 4 0.217841 0.217682 0.000570 0.001182 0.219196 0.001289 0.003601
1.00 8 0.217841 0.217801 0.000145 0.000314 0.218105 0.000301 0.000802
1.00 16 0.217841 0.217829 0.000037 0.000082 0.217880 0.000076 0.000173
1.50 4 0.958693 0.952007 0.022030 0.040824 0.986900 0.031927 0.087923
1.50 8 0.958693 0.958037 0.004630 0.009183 0.965090 0.004157 0.013047
1.50 16 0.958693 0.958677 0.001084 0.002296 0.960002 0.000860 0.002876