Ab initio ci investigation of the electronic spectrum of bf<inf>2</inf> i. Calculation of the potential surfaces and the transition moments for the valence and rydberg doublet electronic states

Abstract

Results of large-scale configuration interaction calculations of the potential surfaces for the doublet electronic states and of the corresponding transition moments in the BF2 radical are presented. All computations are carried out in the C2v point group. Special attention is paid to the study of interactions between valence and Rydberg states. © 1993 Taylor & Francis Group, LLC.