| Literature DB >> 21806089 |
Á Nagy1.
Abstract
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.Year: 2011 PMID: 21806089 DOI: 10.1063/1.3607313
Source DB: PubMed Journal: J Chem Phys ISSN: 0021-9606 Impact factor: 3.488