Fast and robust all-electron density functional theory calculations in solids using orthogonalized enriched finite elements

Document Details

Document Type
Pub Defense Publication
Publication Date
Aug 09, 2021
Source ID
10.1103/physrevb.104.085112

Entities

People

  • Bikash Kanungo
  • Nelson D. Rufus
  • Vikram Gavini

Organizations

  • Army Research Office
  • Office of Basic Energy Sciences
  • United States Department of Energy

Tags

Technology Areas

  • Microelectronics