The differential virial theorem relates the force -/V?/r associated with the one-body potential V (r) of density-functional theory to the Laplacian 2 n of the ground-state density n (r) and to a quantity zs (r) involving the kinetic energy density tensor tαβ (r). Having the concept of the Pauli potential VP (r), zs is derived for spherically symmetric ground-state densities n (r) in terms of the von Weizsäcker kinetic energy density and the first derivative of VP (r). zs is related solely to the gradient kinetic energy density tG (r) for Be-like atomic ions.
|Journal||Physical Review A - Atomic, Molecular, and Optical Physics|
|Publication status||Published - Oct 6 2008|
ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics