THE ELECTRONIC STATES OF KrF

Abstract

We report ab initio configuration interaction calculations on the states of KrF which arise from (a) the $Kr(^{1}S> + F(^{2}P)$ valence limit, (b) the $kr^{*}(^{3}P) + F(^{2}P)$ Rydberg limit and (c) the $Kr^{+}(^{2}P) + F^{-}(^{1}S)$ ionic limit. We conclude that the observed laser emission in KrF is due to the (Ionic-valence) C1/2 - X1/2 transition (5.15 eV calculated, 5.00 eV experimental.). The lifetime of the C1/2 state is calculated to be 6.5 nsec-The ionic $^{2}\prod$ state, neglected in earlier considerations, was found to be nearly degenerate with the ionic $^{2}\Sigma^{+}$ state. Aside from the complications arising from the spin-orbit mixing of the ionic $^{2}\Sigma^{+}$ and $^{2}\prod$ states, the above assignment is in agreement with earlier $assignments.^{1}$