Table 3 Potential energies, bound-state energy eigenvalues and experimental Rydberg–Klein–Rees (RKR) data for the NaBr (X 1Σ+) molecule.
From: Bound-state energy spectrum and thermochemical functions of the deformed Schiöberg oscillator
n | r (Å)78 | U (cm-−1) | Energy (cm−1) | |||
|---|---|---|---|---|---|---|
rmin | rmax | Umin | Umax | MRCI78 | En | |
0 | 2.548 | 2.619 | 1.82 | 132.43 | 146.31 | 146.39 |
1 | 2.406 | 2.686 | 472.01 | 414.84 | 436.99 | 437.42 |
2 | 2.373 | 2.735 | 766.72 | 699.12 | 725.28 | 726.31 |
3 | 2.346 | 2.776 | 1073.09 | 978.32 | 1011.18 | 1013.06 |
4 | 2.325 | 2.814 | 1355.95 | 1265.55 | 1294.71 | 1297.68 |
5 | 2.306 | 2.848 | 1648.18 | 1542.47 | 1575.85 | 1580.19 |
6 | 2.289 | 2.881 | 1940.89 | 1826.77 | 1854.66 | 1860.59 |
7 | 2.274 | 2.912 | 2225.15 | 2105.94 | 2131.14 | 2138.91 |
8 | 2.260 | 2.942 | 2513.65 | 2385.76 | 2405.33 | 2415.14 |
9 | 2.247 | 2.971 | 2802.60 | 2664.10 | 2677.29 | 2689.31 |
10 | 2.235 | 2.999 | 3088.16 | 2939.15 | 2947.14 | 2961.42 |
11 | 2.224 | 3.026 | 3366.49 | 3209.44 | 3215.02 | 3231.49 |
