Technical CommentsTheoretical Chemistry

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

See allHide authors and affiliations

Science  05 May 2017:
Vol. 356, Issue 6337, pp. 496
DOI: 10.1126/science.aam9550

You are currently viewing the abstract.

View Full Text


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.

View Full Text