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An « open shell » type wave function for the hydrogen molecule ground state

Authors :
G. Giacometti
L. Oleari
Source :
Il Nuovo Cimento. 29:771-776
Publication Year :
1963
Publisher :
Springer Science and Business Media LLC, 1963.

Abstract

The energy of the H2 molecule is calculated by using an « open shell » function analogous to the one used by Hylleraas for the He atom. In this way radial correlation is introduced without explicit inclusion of terms containing the interelectron distancer12. The calculated dissociation energy (4.17 eV) is one of the best values obtained in this approximation. A comparison with a similar wave function suggested by Muller and Eyring is made.

Details

ISSN :
18276121
Volume :
29
Database :
OpenAIRE
Journal :
Il Nuovo Cimento
Accession number :
edsair.doi...........38a4fad84676aa9cce208345eca2a87b
Full Text :
https://doi.org/10.1007/bf02827796