title: An ab initio study of the E 3Πg state of the iodine molecule.
abstract: The E (3)Π(g) state of the iodine molecule is studied by ab initio multireference methods coupled with effective core potentials and large basis sets. Two potential minima are found, a global featuring an ion-pair character, and a local presenting a purely Rydberg nature. Four avoided crossings along the dissociation coordinate attribute an interesting topology to its potential energy curve, and their effect on the vibrational levels of I(2) is discussed.
authors.affiliation: Laboratory of Physical Chemistry, Department of Chemistry, National and Kapodistrian University of Athens, Athens, Hellas. kalemos@chem.uoa.gr
authors.forename: Apostolos
authors.initials: A
authors.lastname: Kalemos
authors.forename: Alvaro
authors.initials: A
authors.lastname: Valdés
authors.forename: Rita
authors.initials: R
authors.lastname: Prosmiti