Get access

Properties of the two-electron ionization ladder and related good quantum numbers

Authors

  • Yannis Komninos,

    1. Theoretical and Physical Chemistry Institute, National Hellenic Research Foundation, 48, Vas. Constantinou Ave., 116 35 Athens, Greece
    Search for more papers by this author
  • Spyros Themelis,

    1. Theoretical and Physical Chemistry Institute, National Hellenic Research Foundation, 48, Vas. Constantinou Ave., 116 35 Athens, Greece
    Search for more papers by this author
  • Michael Chrysos,

    1. Theoretical and Physical Chemistry Institute, National Hellenic Research Foundation, 48, Vas. Constantinou Ave., 116 35 Athens, Greece
    Current affiliation:
    1. Laboratoire de Photophysique Moleculaire, CNRS, Université de Paris Sud, 91405, Orsay, CEDEX, France
    Search for more papers by this author
  • Cleanthes A. Nicolaides

    1. Theoretical and Physical Chemistry Institute, National Hellenic Research Foundation, 48, Vas. Constantinou Ave., 116 35 Athens, Greece
    Search for more papers by this author

Abstract

In recent publications we have presented a general theory for the identification and computation of correlated wavefunctions of a particular class of doubly excited states which constitute a two-electron ionization ladder (TEIL) leading smoothly to the so-called Wannier state at E = 0. In this work, we examine further the properties of these wavefunctions for two-electron atoms of 1S and 1Po symmetry, especially as regards their analysis in terms of hydrogenic basis sets and good quantum numbers. We find that the Herrick–Sinanoglu (K, T) classification loses accuracy as we move toward threshold and we show that, when single as well as double excitations are considered, a better quantum number for the TEIL is F = N - 1 - K, where N,K are not good numbers anymore. The extent of the breakdown of the (K, T) representation depends on the system and on the level of excitation (more serious in negative ions and for high lying states). © 1993 John Wiley & Sons, Inc.

Get access to the full text of this article

Ancillary