AB INITIO POTENTIAL CURVES OF THE GROUP II--MONO HALIDES

Abstract

Potential curves of a number of group II (A and B) monohalides have been generated in the search for candidate excimer laser systems. Large first order configuration interaction wave functions have been used to study BeF, MgF, MgCl, ZnF, and ZnCl, Potential curves, transition moments and spectral properties will be presented for low-lying electronic states. Particular attention has been paid to the relation between known properties and computed parameters with the goal of developing an intuitive ``feel” of the full Group II--halide system.