Table A.1
Spectroscopic constants of HeH adiabatic molecular states dissociating into H(3s,3p,3d)+He(1s2).
| State | ref | Re (Å) | ωe (cm−1) | ωexe (cm−1) | ωeye (cm−1) | De (eV/cm −1) | Te (cm−1) | T00 (cm−1) |
|---|---|---|---|---|---|---|---|---|
| 42Σ+ | (a) | 0.7640 | 3382.7 | 162.8 | 42.4 | 2.172/17517.8 | 18382.2 | 18207.0 |
| (b) | 0.7675 | 3383 | ||||||
| (c) | 0.7677 | 3187 | ||||||
| (d) | 0.7702 | 3405 | 201 | 2.16 | ||||
| (e) | 0.7709 | 3346.0 | 167.3 | 2.139/17255.6 | ||||
| (f) | 18215.24 | |||||||
| 52Σ+ | (a) | 0.7759 | 3228.1 | 148.4 | 57.5 | 2.066/16674.1 | 19225.6 | 18979.3 |
| (c) | 0.7775 | 3057 | ||||||
| (d) | 0.7816 | 3252 | 208 | 2.06 | ||||
| (e) | 0.7832 | 3148.5 | 141.1 | 2.032/16394.8 | ||||
| (f) | 18945.92 | |||||||
| 62Σ+ | (a) | 0.7851 | 3148.6 | 168.3 | 31.1 | 1.680/13554.5 | 22345.7 | 22050.7 |
| (e) | 0.7921 | 3094.3 | 149.5 | 1.6522/13321.7 | ||||
| 22Π | (a) | 0.7727 | 3267.6 | 178.4 | 22.1 | 2.096/16908 | 18991.9 | 18752.7 |
| (b) | 0.7788 | 3233 | ||||||
| (c) | 0.7755 | 3083 | ||||||
| (d) | 0.7783 | 3299 | 207 | 2.08 | ||||
| (e) | 0.7833 | 3157.3 | 152.7 | 2.018/16274.7 | ||||
| (f) | 18762.32 | |||||||
| 32Π | (a) | 0.7750 | 3239.2 | 175.1 | 24.6 | 2.057/16588 | 19311.9 | 19059.7 |
| (e) | 0.7799 | 3174.2 | 143.3 | 2.045/16496.1 | ||||
| (f) | 19023.31 | |||||||
| 12Δ | (a) | 0.7738 | 3251.2 | 177.4 | 23.3 | 2.034/16406 | 19506.0 | 19259.0 |
| (e) | 0.7810 | 3195.1 | 154.3 | 1.986/16020.8 | ||||
| (f) | 19248.90 | |||||||
Electronic dissociation energies De are calculated with reference to the respective dissociation limits of the adiabatic states. Te is the electronic transition energy from state A2Σ+, T00 the associated v′ =0 to v”=0 transition. The present vibrational data were determined for 4HeH through five-point polynomial interpolation. References: (a) theory, this work; (b) theory, Theodorakopoulos et al. (1987); (c) theory, Sarpal et al. (1991); (d) theory, Lo et al. (2006); (e) theory, van Hemert & Peyerimhoff (1991); (f) experiment, Ketterle (1990b).
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