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Quasi-continuum orbital-free density-functional theory: A route to multi-million atom non-periodic DFT calculation

Quasi-continuum orbital-free density-functional theory: A route to multi-million atom non-periodic DFT calculation

Vikram Gavini; Kaushik Bhattacharya; Michael Ortiz
  • 作者Vikram Gavini; Kaushik Bhattacharya; Michael Ortiz
  • 卷第55卷
  • 期第4期
  • 文件大小4632.53KB
  • 发表时间2007
  • DOI10.1016/j.jmps.2007.01.012
  • 页码697-718
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