Linear-scaling self-consistent implementation of the van der Waals density functional

著录项

• 来源
  《Physical review》 |2009年第20期|201105.1-201105.4|共4页
• 作者

  Andris Gulans; Martti J. Puska; Risto M. Nieminen;

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• 作者单位

  Department of Applied Physics, COMP, Helsinki University of Technology, P.O. Box 1100, 02015 TKK, Finland;

  Department of Applied Physics, COMP, Helsinki University of Technology, P.O. Box 1100, 02015 TKK, Finland;

  Department of Applied Physics, COMP, Helsinki University of Technology, P.O. Box 1100, 02015 TKK, Finland;

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• 收录信息
• 原文格式 PDF
• 正文语种 eng
• 中图分类
• 关键词

  density functional theory; local density approximation; gradient and other corrections;

  机译：密度泛函理论;局部密度近似;渐变和其他校正;