Adapting DFT+U for the Chemically Motivated Correction of Minimal Basis Set Incompleteness

Document Details

Document Type
Pub Defense Publication
Publication Date
Jul 19, 2016
Source ID
10.1021/acs.jpca.6b04527

Entities

People

  • Brendan D. Mar
  • Heather J. Kulik
  • Natasha Seelam
  • Todd Martinez

Organizations

  • Burroughs Wellcome Fund
  • Engineer Research and Development Center
  • Massachusetts Institute of Technology
  • SLAC National Accelerator Laboratory
  • Stanford University