Molecule

This work

Literature

$n_{\max }$

$D_e^{th}\left(\text{eV}\right)$

$D_0^{th}\left(\text{eV}\right)$

$n_{\max }$

$D_e\left(\text{eV}\right)$

ScN

101

4.5596

4.5147

---

4.56 [3]

LiH

28

2.5128

2.426

29 [4] [15]

2.515287 [4] [15]

2.515267 [3]

Cl₂

72

2.5136

2.4790

72 [6]

2.513926 [5]

NO

55

6.6115

6.4940

55 [6]

6.613502 [5]