Adaptive local basis set for Kohn–Sham density functional theory in a discontinuous Galerkin framework I: Total energy calculation

Published

Journal Article

Full Text

Duke Authors

Cited Authors

  • Lin, L; Lu, J; Ying, L; E, W

Published Date

  • February 2012

Published In

Volume / Issue

  • 231 / 4

Start / End Page

  • 2140 - 2154

Published By

International Standard Serial Number (ISSN)

  • 0021-9991

Digital Object Identifier (DOI)

  • 10.1016/j.jcp.2011.11.032

Language

  • en