| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5379623 | Chemical Physics Letters | 2015 | 23 Pages |
Abstract
- Potential energy curves for Li2 and LiH have been computed by quantum Monte-Carlo method.
- Total energies of the aforementioned species are compared with exact energies.
- Correlation energies are computed for the present and previous studies.
- Obtained curves are fitted to a semi-empirical equation.
- Spectroscopic constants are calculated numerically from the obtained curves.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Saeed Nasiri, Mansour Zahedi,