Abstract
Density-functional theory requires knowledge of the kinetic-energy density in terms of the ground-state density Of course, the direct route to total kinetic energy is from the momentum density which in turn is directly related by Fourier transform to the first-order density matrix Here, an alternative route to calculate the total kinetic energy is explored, via the Fourier transform of the momentum density It is shown that is related to the density matrix γ through its contracted form As examples, bare Coulomb field and harmonic confinement for arbitrary numbers of closed shells are treated. Finally, a localized potential embedded in an initially uniform electron gas is considered, but now to low order in a perturbation series in
- Received 26 April 2001
DOI:https://doi.org/10.1103/PhysRevA.64.042509
©2001 American Physical Society