\textit {AB INITIO} STUDY OF ION-PAIR STATES OF THE IODINE MOLECULE

Abstract

Ion-pair states of the I$2$molecule have been the subject of many experimentals studies and to date all 18 states correlating with I$^+$($^3$P${J=2,1,0}$, $^1$D$_2$) + I$^-$($^1$S$0$) asymptotes are known from experiment. This contribution reports on \textit {ab initio} study of the I$2$ molecule with an emphasis on the ion-pair states. Figure shows experimental and calculated potentials of the ion-pair states correlating with I$^+$($^3$P${2}$) + I$^-$($^1$S$0$) asymptote (energy is relative to I ($^2$P${3/2}$) + I ($^2$P${3/2}$) asymptote).