Variational calculations of vibrational–rotational properties of HF in the X1Σ+ and B1Σ+ electronic states

Abstract

The vibrational energy levels for the X¹Σ⁺ and B¹Σ⁺ states of the HF molecule were calculated by the variational method from the corresponding Rydberg–Klein–Rees potentials. The eigenvectors were used to obtain the rotational constants, B_v, D_v and H_v, according to the perturbation theory definitions. The dipole moment function, its rotationless matrix elements and the radiative lifetimes for the vibrational levels corresponding to v= 1, 2, 3 of the ground state were also calculated.