Development of an exchange–correlation functional with uncertainty quantification capabilities for density functional theory

Document Details

Document Type
Pub Defense Publication
Publication Date
Apr 01, 2016
Source ID
10.1016/j.jcp.2016.01.034

Entities

People

  • James R. Kermode
  • Manuel Aldegunde
  • Nicholas Zabaras

Organizations

  • Engineering and Physical Sciences Research Council
  • Oak Ridge National Laboratory
  • Royal Society
  • Technical University of Munich