Electron and kinetic energy densities for an arbitrarily closed shell in a bare Coulomb field froms-state densities
- 1 March 1989
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review A
- Vol. 39 (6) , 2835-2837
- https://doi.org/10.1103/physreva.39.2835
Abstract
It is known from previous work that the total electron density matrix for closed-shell atoms in a bare Coulomb field is determined solely by the corresponding s-state contribution. In keeping with this philosophy, an expression is derived for the closed-shell electron density (r) and kinetic energy density (r) in terms only of s-state components (r) and (r) for arbitrary quantum number n. A proposal for the generalization of the present model for any central field of force is given in the Appendix.
Keywords
This publication has 5 references indexed in Scilit:
- Exact relation between density-matrix and density-functional theory forKplusLclosed shells in a bare Coulomb fieldPhysical Review A, 1988
- Density matrices derived from polynomial approximations and other modelsPhysical Review A, 1986
- Kinetic energy functional for s-states in a one-body central fieldPhysics Letters A, 1986
- Spatially dependent generalization of Kato’s theorem for atomic closed shells in a bare Coulomb fieldPhysical Review A, 1986
- On a screening theory of atomic spectraAnnals of Physics, 1959