Functional derivative of the kinetic energy functional for spherically symmetric systems
Journal of Chemical Physics, ISSN: 0021-9606, Vol: 135, Issue: 4, Page: 044106
2011
- 33Citations
- 22Captures
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Article Description
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. © 2011 American Institute of Physics.
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AIP Publishing
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