6533b859fe1ef96bd12b78c2

RESEARCH PRODUCT

Two-component density-functional theory: Application to positron states.

E. BoronskiL. J. LanttoRisto M. Nieminen

subject

PhysicsElectron densityAnnihilationPositronVacancy defectJelliumDensity functional theoryElectronic structureAtomic physicsElectronic density

description

A quantitative approach to calculating properties of inhomogeneous two-component Coulomb-Fermi systems is presented. As an application, the ground-state electronic structure of a jellium vacancy containing a trapped positron is calculated self-consistently. While the resulting density profiles and energetics are quite different from those obtained neglecting cross correlations, the conventional estimates for the annihilation rates are shown to remain valid, due to canceling effects of the increase in the mean electron density and the decrease in short-range screening.

10.1103/physrevb.32.1377https://pubmed.ncbi.nlm.nih.gov/9937169