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Factored wave function for bound S-type states of two-electron atomic systems

✍ Scribed by E. Buendía; F. J. Gálvez; A. Sarsa


Publisher
John Wiley and Sons
Year
1998
Tongue
English
Weight
178 KB
Volume
68
Category
Article
ISSN
0020-7608

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✦ Synopsis


A simple and accurate variational wave function in which the dependence in the interelectronic distance is factored is proposed to describe S-type states of two-electron atomic systems. We introduce a parameterization which generalizes the previous ones used in this same framework and which allows us to obtain in a simple way the wave function of both symmetric and antisymmetric excited states. We performed a systematic analysis of some exact properties such as the virial theorem and the cusp conditions and a study of both the one-and two-body densities. Finally, a comparison among the different correlation functions for these states was performed for helium.


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One-and two-electron bound states in screened and bare Coulomb potentials are calculated by adopting a discretized multiconfiguration generator Ž . coordinate GC method which leads to an iterative nonorthogonal configuration interaction procedure with the optimization of GCs. The GCs are optimized e