Im. Band et Mb. Trzhaskovskaya, USE OF THE MULTICONFIGURATION DIRAC-FOCK METHOD IN CALCULATIONS OF PHOTOELECTRON-SPECTRA - THE 4D PHOTOELECTRON-SPECTRA OF BARIUM, Optics and spectroscopy, 85(4), 1998, pp. 487-490
A method for calculating the photoelectron spectra is proposed, which
involves calculation of the wave functions of atoms and ions by the mu
lticonfiguration Dirac-Fock method. The calculated values of the bindi
ng energies of 4d electrons in the barium atom coincide with the exper
imental values to within 0.1 eV. The relative intensities of spectral
lines are in good agreement with experimental data. The calculated cha
racters of spectral lines contain significant admixtures of 5d electro
nic states.