Density functional theory beyond the Born-Oppenheimer approximation: Accurate treatment of the ionic zero-point motion

Document Details

Document Type
Pub Defense Publication
Publication Date
Nov 12, 2018
Source ID
10.1103/physrevb.98.195112

Entities

People

  • Efstratios Manousakis
  • Efthimios Kaxiras
  • Grigory Kolesov

Organizations

  • Army Research Office
  • National Science Foundation