4.7 Article

Functional derivative of the kinetic energy functional for spherically symmetric systems

Journal

JOURNAL OF CHEMICAL PHYSICS
Volume 135, Issue 4, Pages -

Publisher

AMER INST PHYSICS
DOI: 10.1063/1.3607313

Keywords

density functional theory; differential equations

Funding

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

Ask authors/readers for more resources

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]

Authors

I am an author on this paper
Click your name to claim this paper and add it to your profile.

Reviews

Primary Rating

4.7
Not enough ratings

Secondary Ratings

Novelty
-
Significance
-
Scientific rigor
-
Rate this paper

Recommended

No Data Available
No Data Available