Knowledge Bank

Multi-configuration self-consistent field and configuration interaction calculations have been performed on $Ag2,Au2$, and AgAu. Relativistic effective core potentials (REP) and optimized valence basis sets of Slater-type functions, including f-type polarization functions, have been employed. multi-referenc. single and double excitation electron correlation studies are reported. The effects of including f-type functions is the basis set and the necessary levels of electron correlation are discussed. Calculated spectroscopic constants are compared to experiment and to previous ab intio all-electron and REP studies.