Semiempirical Study of Perturbations of the Lande g Factors of ElectronicVibrationalRotational Levels of Hydrogen: II. i~3Π_g~- and j~3Δ_g~- States of the H_2, HD, and D_2 Molecules

摘要

The values of the Lande g factors of the i~3Π_g~- v, N and j~3Δ_g~-, v, N states of the H_2, HD, and D_2 molecules have been found semiempirically for the following vibrational and rotational quantum numbers: v ≤ 3; N ≤ 7 for H_2; N ≤ 5 for HD; and N ≤ 11 for D_2. These values were obtained in terms of the nonadiabatic model, which takes into account the interaction between the 3dπ~3Πg and 3d3δ~Δg states with the same values of and N in the approximation of pure precession, with the use of semiempirical values of the expansion coefficients of the wave functions in the Born–Oppenheimer basis determined by us previously and the results of numerical calculation of the overlap integrals of the vibrational wave functions of these states. The results obtained for the H_2 molecule are in good agreement with the data in the literature. For the i~3Π_g~- and j~3Δ_g~- states of the HD and D_2 molecules, the g factors were found for the first time. This made it possible to study for the first time the role of the isotopic effect in the perturbation of the dependences of the g factors of rovibrational levels on and N for the triplet electronic states of the hydrogen molecule. It was found that the interference effects of interaction between the 3d3g and 3d3g states lead both to significant differences-up to 8, 6, and 11 times for H_2, HD, and D_2, respectively (the i~3Π_g~- state), 20 times for H_2 and HD, and two orders of magnitude for D_2 (the i~3Δ_g~- state)—between the nonadiabatic values of the g factors and the corresponding adiabatic values for some isotopomers of the hydrogen molecule and to significant differences-up to 9 and 1.5 times for the i~3Δ_g~- and i~3Π_g~- states, respectively-in the nonadiabatic values of the g factors of rovibrational levels of different isotopomers of the hydrogen molecule.