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

Publication ,  Journal Article
Lin, L; Lu, J; Ying, L; E, W
Published in: Journal of Computational Physics
February 2012
Published version (DOI) Open Access Copy (Duke) Publisher Link

Duke Scholars

Jianfeng Lu
Author Jianfeng Lu Mathematics
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Published In

Journal of Computational Physics

DOI

10.1016/j.jcp.2011.11.032

ISSN

0021-9991

Publication Date

February 2012

Volume

231

Issue

4

Start / End Page

2140 / 2154

Publisher

Elsevier BV

Related Subject Headings

  • Applied Mathematics
  • 51 Physical sciences
  • 49 Mathematical sciences
  • 40 Engineering
  • 09 Engineering
  • 02 Physical Sciences
  • 01 Mathematical Sciences
 

Citation

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Lin, L., Lu, J., Ying, L., & E, W. (2012). Adaptive local basis set for Kohn–Sham density functional theory in a discontinuous Galerkin framework I: Total energy calculation. Journal of Computational Physics, 231(4), 2140–2154. https://doi.org/10.1016/j.jcp.2011.11.032
Lin, Lin, Jianfeng Lu, Lexing Ying, and Weinan E. “Adaptive local basis set for Kohn–Sham density functional theory in a discontinuous Galerkin framework I: Total energy calculation.” Journal of Computational Physics 231, no. 4 (February 2012): 2140–54. https://doi.org/10.1016/j.jcp.2011.11.032.
Lin L, Lu J, Ying L, E W. Adaptive local basis set for Kohn–Sham density functional theory in a discontinuous Galerkin framework I: Total energy calculation. Journal of Computational Physics. 2012 Feb;231(4):2140–54.
Lin, Lin, et al. “Adaptive local basis set for Kohn–Sham density functional theory in a discontinuous Galerkin framework I: Total energy calculation.” Journal of Computational Physics, vol. 231, no. 4, Elsevier BV, Feb. 2012, pp. 2140–54. Crossref, doi:10.1016/j.jcp.2011.11.032.
Lin L, Lu J, Ying L, E W. Adaptive local basis set for Kohn–Sham density functional theory in a discontinuous Galerkin framework I: Total energy calculation. Journal of Computational Physics. Elsevier BV; 2012 Feb;231(4):2140–2154.
Journal cover image

Published In

Journal of Computational Physics

DOI

10.1016/j.jcp.2011.11.032

ISSN

0021-9991

Publication Date

February 2012

Volume

231

Issue

4

Start / End Page

2140 / 2154

Publisher

Elsevier BV

Related Subject Headings

  • Applied Mathematics
  • 51 Physical sciences
  • 49 Mathematical sciences
  • 40 Engineering
  • 09 Engineering
  • 02 Physical Sciences
  • 01 Mathematical Sciences