Author/Authors :
Bauschlicher Jr.، نويسنده , , Charles W. and Partridge، نويسنده , , Harry، نويسنده ,
Abstract :
The ground 2Σ+ and lowest excited 2Π states of MgAr+ and MgKr+ are studied using the singles and doubles configuration-interaction (SDCI) approach, in conjuction with large basis sets. The effect of Mg core correlation and core polarization are accounted of using the core-polarization potential (CPP) approach. Franc-Condon factors, oscillator strengths, radiative lifetimes, dissociation energies, bond lenghts, and excitation energies are reported. The computed results are in good agreement with the available experimental data.