Table 3.

Mean absolute deviations of atomic dielectric boundary forces (kcal/mol-e-Å) between different methods for the tested realistic molecular systems.

AT	1-d	2-s 2-o	2-s 1-o	1-s 2-o	1-s 1-o
1-d	–	0.0006166	0.001122	0.0003974	0.001800
2-s 2-o	–	–	0.001075	0.0002253	0.001622
2-s 1-o	–	–	–	0.001019	0.001738
1-s 2-o	–	–	–	–	0.001590
GC	1-d	2-s 2-o	2-s 1-o	1-s 2-o	1-s 1-o
1-d	–	0.0004025	0.0005604	0.0001765	0.001928
2-s 2-o	–	–	0.0004064	0.0002899	0.001883
2-s 1-o	–	–	–	0.0004922	0.001868
1-s 2-o	–	–	–	–	0.001933
RD	1-d	2-s 2-o	2-s 1-o	1-s 2-o	1-s 1-o
1-d	–	0.001035	0.001708	0.0006102	0.003224
2-s 2-o	–	–	0.001517	0.0004692	0.004186
2-s 1-o	–	–	–	0.001384	0.002837
1-s 2-o	–	–	–	–	0.003740
KD	1-d	2-s 2-o	2-s 1-o	1-s 2-o	1-s 1-o
1-d	–	0.001254	0.0006086	0.0009511	0.002305
2-s 2-o	–	–	0.0008443	0.0003400	0.001496
2-s 1-o	–	–	–	0.0006884	0.002228
1-s 2-o	–	–	–	–	0.001583

All forces values were extrapolated to h=0 Å before comparison.