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Influence de la Structure de Diverses Fonctions sur l'Evaluation de l'Energie de Correlation

✍ Scribed by Alain Pellegatti Et André Julg

Publisher
John Wiley and Sons
Year
1976
Tongue
English
Weight
413 KB
Volume
10
Category
Article
ISSN
0020-7608

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✦ Synopsis

Abstract

The influence of various correlation functions, multiplying the monoelectronic space function, is studied and applied to the Helium atom and its isoelectronic series. We used Slater‐type basis orbitals and the ground and first excited states have been studied, taking into account the virial and cusp conditions. In the ground state, a very good value for the correlation energy is obtained, using a function of the type

For the excited states, this type of function overestimates the assumed value of the correlation energy.

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