| Autor: |
Surulere, Samuel A., Shatalov, Micheal Y., Mkolesia, Andrew C., Ehigie, Julius O. |
| Zdroj: |
International Journal of Mathematical Modelling and Numerical Optimisation; 2020, Vol. 10 Issue: 3 p239-254, 16p |
| Abstrakt: |
Many well-known semiempirical potential energy functions have been used to construct potential energy curves from the physical or chemical properties of atoms. In this study, we identify the Lennard-Jones and Biswas-Hamann potential parameters and use these to calculate and reconstruct potential energy curves using experimental datasets of gold atom. Two different approaches are studied in detail. The Lennard-Jones potential yielded complex conjugate eigenvalues for both approaches. Numerical estimates proved the considered approaches gives better approximations as constructed and reconstructed potential energy curves were almost graphically indistinguishable. |
| Databáze: |
Supplemental Index |
| Externí odkaz: |
|
