| CsCl Study | ||||
| Simulation | Symbolically from potential | Experimental | ||
| total E (eV) | -4.22 | -4.22518 | -4.74 | |
| r - equilibrium (Ang) | 3.1 | 3.0777 | ||
| Vibrational freq (cm-1) | 199.6 | 199.7 | 217 | |
| vibrational period (fs) | 167 | 167 | 154 | |
| Simulation temperature is ill-defined with diatomic. | ||||
Last Updated on 1/21/99
By Douglas Cameron
Email: cameron@genetical.com