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. Author manuscript; available in PMC: 2014 Mar 13.
Published in final edited form as: J Chem Theory Comput. 2013 Jan 9;9(3):1417–1427. doi: 10.1021/ct3010134

Table 1.

Water dimer geometry and interaction energies

Method ΔE kcal/mol RO–O Å a b
degrees
MP2 −6.13 2.91 2.1 44.1
MP2+CP −4.47 ··· ··· ···
〈MP2〉 −5.30 ··· ··· ···
DFTB2 −3.32 2.86 3.6 65.5
mDC −5.83 2.91 0.7 43.0
mDC(q) −2.62 2.91 7.1 14.3
TIP3P −6.59 2.77 4.3 21.0