A Statistical Analysis of the Wavenumbersof Triplet Rovibronic Transitions of the D2 Molecule:III. Optimum Values of Level Energies

摘要

The optimum energy values of the vibrational-rotational levels of all the experimentally studied35 triplet electronic states of the D_2 molecule were found using a one-step optimization procedure only basedon the Rydberg—Ritz combination and maximum likelihood principles. The set of energy values for 1050 lev-els was obtained from 3713 experimental data (3588 old and 125 new data) on the wavenumbers of rovibronictransitions. The energies were counted from the lowest vibrational-rotational level (v = 0, N = 0) of the ( lsб2sб)a~3Σ_a~+electronic state. Errors in the empirical determination of optimum level energy values causedonly by the limited consistency of the experimental data obtained by different authors, different methods,and in different spectrum regions were found. They are of 0.005-0.1 cm-1 and increase as the vibrationaland rotational quantum numbers grow. The possibility of discovery of new not identified earlier band sys-tems was demonstrated. This can be done using the optimum level energies for calculations of the wave-numbers of spectral lines allowed by selection rules followed by the search for these lines in the experimen-tal spectra of D_2.