S. Markert et al., AB-INITIO CALCULATIONS OF EXCITED RARE-GAS ALKALI IONS, Zeitschrift fur Physik. D, Atoms, molecules and clusters, 29(2), 1994, pp. 85-89
The excimer-like ions formed by combining a rare gas ion with an alkal
i atom were investigated by an ab initio HF-CI calculation. The result
ing four bound excited states 1SIGMA+, 1PI, 3SIGMA+ and 3PI were subje
cted to a semiempirical spin orbit (SO)-coupling yielding eight fine s
tructure levels with angular momenta OMEGA = 2, 1(3) and 0(4). For (Ne
Li)+, (NeNa)+, (ArLi)+, (ArNa)+, (ArK)+ and (KrLi)+ the wavelengths fo
r the five allowed transitions to the ground state were calculated. Th
e results are in close agreement with the experimental results. Also o
ther spectroscopic properties as binding energies, transition moments
and vibrational quanta are given.