Table 3.

Spectroscopic constants for H₂.

H 2 (X1Σg+)	R e (Å)	D 0 (cm−1)	D e (cm−1)
This work	0.742	35726.3706	37940.0582
Lee's work [49]	0.743	35687	37868
Yuan's work [50]	0.7414		38313.2
He's work [51]	0.7418		38186.2
Expt.	0.742 [52]	36118.06 [53]	38288 [52]

R _e (Å): the equilibrium bond length of the H₂, the unit is Å. D₀ (cm⁻¹): the experimental dissociation energy of the H₂, the unit is cm⁻¹. D_e (cm⁻¹): the equilibrium dissociation energy of the H₂, the unit is cm⁻¹.