| Title | Application of virial scaling to calculation of diatomic forces and force constants |
| Publication Type | Journal Article |
| Year of Publication | 1969 |
| Authors | Thorhallsson, J, Chong, DP |
| Journal | Chemical Physics Letters |
| Volume | 4 |
| Pagination | 405-407 |
| Date Published | Dec |
| Type of Article | Article |
| ISBN Number | 0009-2614 |
| Abstract | The scaling procedure is applied to configuration-interaction wavefunctions of LiH at rho = eta R = 2.75, 3.00, and 3.25. The force curve calculated from the scaled wavefunctions leads to improved values for the equilibrium internuclear separation and force constants. |
| URL | <Go to ISI>://000203000700025 |
