Center for Theoretical Chemical Physics Laboratory of Molecular Catalysis mnovative Material Ref:Bak K.L.et al.J.Chem.Phys.2001,114(15),6548. Distribution of Equilibrium Bond Length Errors for 19 Small Molecules in a cc- pCVQZ basis-ACES lI results from Bak,et.al.JCP,v.114,p.6548(2001) HF 一MBPT(2) CCSD 一CCSD() -8 -6 -4 -2 0 Error in Bond Lengths (pm) 李振华制 2013/10/14 What Theory Can Do李 振 华 制 2013/10/14 What Theory Can Do 7 造 Ref: Bak K. L. et al. J. Chem. Phys. 2001, 114(15), 6548