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