Publications [#232042] of David N. Beratan

Journal Articles

1. Luken, WL; Beratan, DN, Localized orbitals and the Fermi hole, Theoretica Chimica Acta, vol. 61 no. 3 (May, 1982), pp. 265-281, Springer Nature America, Inc, ISSN 0040-5744 [doi]
   (last updated on 2024/04/18)

   Abstract:
   The relationship between localized orbitals and the Fermi hole is demonstrated with contour maps of the Fermi hole in the water molecule. These contour maps indicate the presence of regions in which the Fermi hole is relatively stable, regions in which the shape of the Fermi hole changes rapidly, and regions in which the Fermi hole follows the probe electron smoothly. If a single orbital dominates any region of space, the Fermi hole resembles that orbital for any position of the probe electron in the dominated region. © 1982 Springer-Verlag.