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. Author manuscript; available in PMC: 2007 Nov 19.
Published in final edited form as: J Chem Phys. 2006 Nov 14;125(18):184101. doi: 10.1063/1.2363374

TABLE I.

Average (maximum) absolute errors in Coulomb interaction with respect to CSOV for the ten water dimers (in kcal/mol).

6−31G*
 aug-cc-pVTZ
A1 P1 g03 CFIT A1 P1 g03 CFIT
Hermite 0.26(0.45) 0.08(0.18) 0.02(0.09) 0.02(0.11) 0.56(1.14) 0.15(0.34) 0.12(0.28) 0.04(0.14)
Multipole 0.81(1.62) 0.79(1.73) 0.64(1.66) 1.75(3.02) 1.91(2.85) 1.65(2.29) 1.75(2.74) 1.45(2.28)