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. Author manuscript; available in PMC: 2014 Aug 13.
Published in final edited form as: J Chem Theory Comput. 2013 Aug 13;9(8):3364–3374. doi: 10.1021/ct400036b

Figure 3.

Figure 3

Relative signed errors (in %) of SCS-MP2, MP2.5, MP2C, BLYP-D3 (Becke-Johnson damping) and PM6-D3H4 methods for the investigated complexes. Negative sign (“-”) indicates overestimation of the interaction energy. Methods listed are the best performing methods within each category of methods: (a) post-HF wavefunction theory (WFT) methods containing empirical parameters (SCS-MP2, MP2.5, MP2C), (b) DFT based methods with added dispersion terms (BLYP-D3 (Becke-Johnson damping)), and (c) semiempirical quantum mechanical methods augmented with empirical corrections for noncovalent interactions (PM6-D3H4).