term. Because DFT correlation functional can largely represent middle-range Coulomb correlation, therefore the accompanied dispersion correction energy mainly accounts for long-range Coulomb correlation. If an exchange-correction functional does not have any ability to represent the long-range Coulomb correlation, such as B3LYP, then the dispersion correction contribution to intermolecular interaction energy could be regarded as "pure" dispersion interaction energy. Due to the difference in nature, the dispersion correction term Edc in sobEDA is always notably or even significantly smaller than the SAPT dispersion term, and hence direct comparison between them is evidently unfair. A similar viewpoint and finding has been mentioned in Ref. [40]. It should be noted in passing that the dispersion correction term for DFT functionals that can partially represent long-range Coulomb correlation (such as M06-2X ) does not have any clear physical meaning. Therefore, these functionals should not be used in combination with sobEDA if dispersion effect will be analyzed separately.