Assessing DFT-D3 Damping Functions Across Widely Used Density Functionals: Can We Do Better?

Document Details

Document Type: Pub Defense Publication
Publication Date: Apr 14, 2017
Source ID: 10.1021/acs.jctc.7b00176

Entities

People

Jeffrey B. Neaton
Jonathon Witte
Martin Head-Gordon
Narbe Mardirossian

Organizations

Office of Basic Energy Sciences
United States Department of Defense