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- W2051567429 abstract "The interaction energy of two water molecules is evaluated at several levels of theory in a better than double zeta plus polarization basis set. Our CCSD+T(CCSD) results should be quite close to the full CI result in this case. Results are compared with variation–perturbation results for the dispersion energy. Counterpoise-corrected correlated results are used to examine the importance of basis set superposition effects in this system." @default.
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- W2051567429 date "1986-03-10" @default.
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- W2051567429 title "A many-body perturbation theory and coupled cluster study of the water dimer" @default.
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- W2051567429 doi "https://doi.org/10.1002/qua.560300738" @default.
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