Literature DB >> 21806089

Functional derivative of the kinetic energy functional for spherically symmetric systems.

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.
© 2011 American Institute of Physics

Year:  2011        PMID: 21806089     DOI: 10.1063/1.3607313

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  1 in total

1.  Equilibrium Bond Lengths from Orbital-Free Density Functional Theory.

Authors:  Kati Finzel
Journal:  Molecules       Date:  2020-04-13       Impact factor: 4.411

  1 in total

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