C. Jungen et al., THE RYDBERG SPECTRUM OF ARH AND KRH - CALCULATION BY R-MATRIX AND GENERALIZED QUANTUM-DEFECT THEORY, Philosophical transactions-Royal Society of London. Physical sciences and engineering, 355(1729), 1997, pp. 1481-1504
The generalized ligand field approach developed recently by Arif and o
thers for the description of the electronic structures of the alkaline
earth halides is used to calculate the electronic spectrum of ArH and
of KrH from the ground state up near the ionization limit. The ion co
re is represented as a closed-shell protonated rare gas atom from whic
h the lone electron is scattered. The resulting level energies (effect
ive principal quantum numbers) are in good agreement with the availabl
e experimental data and constitute the first global theoretical calcul
ation of the electronic spectra of ArH and KrH. Polarization of the ra
re gas atom by the ligand proton is shown to be significant.