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Ground state calculations of the confined molecular ions and HeH++ using variational Monte Carlo method.

Authors :
Doma, Salah B.
El-Gammal, Fatma N.
Amer, Asmaa A.
Source :
Canadian Journal of Physics. May2016, Vol. 94 Issue 5, p501-506. 6p. 1 Diagram, 4 Charts, 1 Graph.
Publication Year :
2016

Abstract

The ground state energy of hydrogen molecular ion confined by a hard prolate spheroidal cavity is calculated. The case in which the nuclear positions are clamped at the foci is considered. Our calculations are based on using the variational Monte Carlo method with an accurate trial wave function depending on many variational parameters. The results were extended to also include the HeH++ molecular ion. The obtained results are in good agreement with the most recent results. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
00084204
Volume :
94
Issue :
5
Database :
Academic Search Index
Journal :
Canadian Journal of Physics
Publication Type :
Academic Journal
Accession number :
115055207
Full Text :
https://doi.org/10.1139/cjp-2015-0182