Relevance of the slowly varying electron gas to atoms, molecules, and solids.

نویسندگان

  • John P Perdew
  • Lucian A Constantin
  • Espen Sagvolden
  • Kieron Burke
چکیده

We present a Thomas-Fermi-inspired density scaling under which electron densities of atomic, molecular, or condensed matter become both large and slowly varying, so that semiclassical approximations and second-order density gradient expansions are asymptotically exact for the kinetic and exchange energies. Thus, even for atoms and molecules, density-functional approximations should recover the universal second-order gradient expansions in this limit. We also explain why common generalized gradient approximations for exchange do not.

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عنوان ژورنال:
  • Physical review letters

دوره 97 22  شماره 

صفحات  -

تاریخ انتشار 2006