Table 4. Rotationless RKR Potential Energy Curve for the 21Σu+ State of Sr2a.
| v | Gv (cm–1) | R– (Å) | R+ (Å) | v | Gv (cm–1) | R– (Å) | R+ (Å) |
|---|---|---|---|---|---|---|---|
| 0 | 4.176 | ||||||
| 0 | 42.024 | 4.084 | 4.275 | 26 | 2018.540 | 3.630 | 5.153 |
| 1 | 125.703 | 4.020 | 4.352 | 28 | 2150.854 | 3.616 | 5.210 |
| 2 | 208.838 | 3.978 | 4.408 | 30 | 2279.868 | 3.603 | 5.268 |
| 4 | 373.445 | 3.917 | 4.496 | 32 | 2405.468 | 3.590 | 5.327 |
| 6 | 535.786 | 3.870 | 4.571 | 34 | 2527.538 | 3.579 | 5.388 |
| 8 | 695.797 | 3.832 | 4.638 | 36 | 2645.955 | 3.568 | 5.451 |
| 10 | 853.411 | 3.799 | 4.701 | 38 | 2760.596 | 3.558 | 5.516 |
| 12 | 1008.555 | 3.770 | 4.760 | 40 | 2871.329 | 3.549 | 5.583 |
| 14 | 1161.155 | 3.744 | 4.818 | 42 | 2978.022 | 3.540 | 5.653 |
| 16 | 1311.129 | 3.721 | 4.875 | 44 | 3080.537 | 3.532 | 5.726 |
| 18 | 1458.395 | 3.700 | 4.930 | 46 | 3178.731 | 3.524 | 5.803 |
| 20 | 1602.863 | 3.680 | 4.986 | 48 | 3272.459 | 3.517 | 5.884 |
| 22 | 1744.442 | 3.662 | 5.041 | 50 | 3361.570 | 3.510 | 5.970 |
| 24 | 1883.034 | 3.646 | 5.097 | 52 | 3445.910 | 3.504 | 6.061 |
a
The first line refers to the bottom of the potential curve, and the corresponding R value is the equilibrium distance. The full list of turning points of the potential is given in the Supporting Information accompanying this work.