Density functional theory across chemistry, physics and biology.

نویسندگان

  • Tanja van Mourik
  • Michael Bühl
  • Marie-Pierre Gaigeot
چکیده

The past decades have seen density functional theory (DFT) evolve from a rising star in computational quantum chemistry to one of its major players. This Theme Issue, which comes half a century after the publication of the Hohenberg-Kohn theorems that laid the foundations of modern DFT, reviews progress and challenges in present-day DFT research. Rather than trying to be comprehensive, this Theme Issue attempts to give a flavour of selected aspects of DFT.

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عنوان ژورنال:
  • Philosophical transactions. Series A, Mathematical, physical, and engineering sciences

دوره 372 2011  شماره 

صفحات  -

تاریخ انتشار 2014