Spatial generalization of the H atom nuclear cusp condition for kinetic energy density for closed shells in a bare Coulomb field

Abstract

In a recent paper (N.H. March et al., Phys. Rev. A 63 (2000) 012520), it has been shown that there are nuclear cusp conditions for various energy densities of density functional theory, embracing exchange and correlation contributions as well as the full electron–electron interaction energy density. Here, for the single-particle kinetic energy density, an exact nuclear cusp condition for the H atom is shown to have a spatial generalization for an arbitrary number of closed shells in a bare Coulomb field.