Abstract
The Pauli potential in density functional theory is known to be the difference between the functional derivative of the single-particle kinetic energy with respect to the electron density and its von Weizsäcker counterpart. For the leading Coulombic term in the expansion for spherical atomic ions, is written in terms of the kinetic energy density plus and its low-order derivatives. For comparison, the example of an arbitrary number of closed shells with purely harmonic confinement is also treated.
- Received 7 October 2009
DOI:https://doi.org/10.1103/PhysRevA.81.014502
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