Introducing PROFESS: A new program for orbital-free density functional theory calculations

نویسندگان

  • Gregory S. Ho
  • Vincent L. Lignères
  • Emily A. Carter
چکیده

Article history: Received 19 April 2008 Received in revised form 2 June 2008 Accepted 15 July 2008 Available online 19 July 2008 PACS: 71.15.-m 71.15.Mb 71.15.Dx

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Introducing PROFESS 2.0: A parallelized, fully linear scaling program for orbital-free density functional theory calculations

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عنوان ژورنال:
  • Computer Physics Communications

دوره 179  شماره 

صفحات  -

تاریخ انتشار 2008