Functional derivative of the kinetic energy functional for spherically symmetric systems.
نویسنده
چکیده
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.
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عنوان ژورنال:
- The Journal of chemical physics
دوره 135 4 شماره
صفحات -
تاریخ انتشار 2011