Abstract
The explicit form of the first-order density matrix ρ,) for independent electrons moving in a bare Coulomb field is first set up for the case of K plus L closed shells. The density matrix has a simple separable form in terms of the variables + and ‖‖, a property exclusive to the Coulomb potential. Also, the off-diagonal dependence is simply quadratic in ‖‖. These two properties allow ρ,) to be written solely in terms of electron and kinetic energy densities. Other implications for density-functional theory are briefly referred to.
- Received 3 June 1988
DOI:https://doi.org/10.1103/PhysRevA.38.5002
©1988 American Physical Society