Response to Comment on “Density functional theory is straying from the path toward the exact functional”

    loading  Checking for direct PDF access through Ovid


Kepp argues in his Comment, among other concerns, that the atomic densities we have considered are not relevant to molecular bonding. However, this does not change the main conclusion of our study, that unconstrained fitting of flexible functional forms can make a density functional more interpolative but less widely predictive.

Related Topics

    loading  Loading Related Articles