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Theoretica chimica acta

, Volume 43, Issue 2, pp 175–184 | Cite as

Moment characterization of localized orbitals

  • Ede Kapuy
  • Cornelia Kozmutza
  • Michael E. Stephens
Original Investigations

Abstract

The parallel between orbital first and second electric moments and statistical first and second central moments is noted. Three measures of orbital spatial distribution in terms of their moments are proposed, and applied to the LMO's in a series of ten-electron hydrides. Consistent differences between bond and lone pair distributions are found. Using the statistical interpretation, for each LMO an “effective” solid angle around the central atom is postulated.

Key words

Localized molecular orbitals, electric moments of ∼ 

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Copyright information

© Springer-Verlag 1976

Authors and Affiliations

  • Ede Kapuy
    • 1
  • Cornelia Kozmutza
    • 1
  • Michael E. Stephens
    • 2
  1. 1.Quantum Theory GroupPhysics Institute of the Technical University of BudapestBudapest XIHungary
  2. 2.Centre de Mécanique Ondulatoire AppliquéeParisFrance

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