Ground State Calculations of the Confined Molecular Ions H2+ and HeH++ Using Variational Monte Carlo Method
Atomic and Molecular Clusters
2016-05-25 v1 Chemical Physics
Abstract
The ground state energy of hydrogen molecular ion H2+ 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 calculations were extended also to include the HeH++ molecular ion. The obtained results are in good agreement with the recent results.
Keywords
Cite
@article{arxiv.1509.02909,
title = {Ground State Calculations of the Confined Molecular Ions H2+ and HeH++ Using Variational Monte Carlo Method},
author = {S. B. Doma and F. N. El-Gammal and A. A. Amer},
journal= {arXiv preprint arXiv:1509.02909},
year = {2016}
}
Comments
arXiv admin note: text overlap with arXiv:1509.02567. text overlap with arXiv:1509.02567