2003/01/09 by R. J. Magyar, W. Terilla, K. Burke · 1 citation
Physics and Astronomy · #physics.chem-ph #physics.atom-ph #physics.comp-ph
paper · pdf · doi:10.1063/1.1579465
published as The Journal of Chemical Physics -- July 8, 2003 -- Volume 119, Issue 2, pp. 696-700 · 7 pages, 5 figures
arxiv created 2003/01/09 · arxiv updated 2009/12/01
The adiabatic connection curve of density functional theory (DFT) is accurately calculated beyond the physical interaction strength for Hooke's atom, two interacting electrons in a harmonic well potential. Extrapolation of the accurate curve to the infinite coupling limit agrees well with the strictly correlated electron (SCE) hypothesis but the approach to this limit is more complex. The interaction strength interpolation is shown to be a good, but not perfect, fit to the adiabatic curve. Arguments about the locality of functionals and convexity of the adiabatic connection curve are examined in this regime.