Theoretical investigation of the B′1Σu+ state of the hydrogen molecule

Potential energy curve for the excited B′¹Σ_U⁺ state of the hydrogen molecule was computed for internuclear distances 1.2 <R < 5.0 au. The dissociation energies evaluated for H₂, HD and D₂ are above the experimental results by 0.9, 3.1 and 27.2 cm^?1, respectively. The wavefunctions obtained are employed to compute at several internuclear distances the electronic dipole transition moment for the transition to the ground state.