Closed Relation Between Single-Particle Kinetic Energy and Electron Density in One-Dimensional Two-Level Systems

P.M. Kozłowski Department of Chemistry, University of Arizona, Tucson, Arizona 85721, USA and N.H. March Department of Theoretical Chemistry, University of Oxford, 5 South Parks Road, Oxford OXI 3UB, England

Received: May 20, 1992

Full Text PDF

For a two-level problem in one dimension, an implicit relation is derived relating the kinetic energy density ts(x) to the electron density ρ(x) plus its first and second derivatives. As an example, the harmonic oscillator potential is used to make this relation explicit.

DOI: 10.12693/APhysPolA.82.421 PACS numbers: 31.15.+q, 31.20.Sy, 03.65.Ca