15min:
AB INITIO STUDY OF ION-PAIR STATES OF THE IODINE MOLECULE.

VADIM A. ALEKSEEV, Institute of Physics, St.Petersburg State University, Uljanovskaja St.1, Peterhof, 198504 St.Petersburg, Russia.

\beginwrapfigure[15]r10.0cm \vspace-1.0cm \hspace*-0.0cm \epsfigfile=Graph5.eps,width=9.5cm \endwrapfigure

Ion-pair states of the I2molecule have been the subject of many experimentals studies and to date all 18 states correlating with I+(3P_J=2,1,0, 1D2) + I-(1S0) asymptotes are known from experiment. This contribution reports on ab initio study of the I2 molecule with an emphasis on the ion-pair states. Figure shows experimental and calculated potentials of the ion-pair states correlating with I+(3P2) + I-(1S0) asymptote (energy is relative to I (2P3/2) + I (2P3/2) asymptote).