4.7 Article

Functional derivative of the kinetic energy functional for spherically symmetric systems

期刊

JOURNAL OF CHEMICAL PHYSICS
卷 135, 期 4, 页码 -

出版社

AMER INST PHYSICS
DOI: 10.1063/1.3607313

关键词

density functional theory; differential equations

资金

  1. TAMOP [4.2.1/B-09/1/KONV-2010-0007]
  2. European Union
  3. European Social Fund
  4. OTKA [K 67923]

向作者/读者索取更多资源

Ensemble non-interacting kinetic energy functional is constructed for spherically symmetric systems. The differential virial theorem is derived for the ensemble. A first-order differential equation for the functional derivative of the ensemble non-interacting kinetic energy functional and the ensemble Pauli potential is presented. This equation can be solved and a special case of the solution provides the original non-interacting kinetic energy of the density functional theory. (C) 2011 American Institute of Physics. [doi: 10.1063/1.3607313]

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