title: Interaction potentials of the RG-I anions, neutrals, and cations (RG = He, Ne, Ar).
abstract: Interaction potentials of the iodine atom, atomic cation, and anion with light rare-gas atoms from He to Ar are calculated within the unified ab initio approach using the unrestricted coupled-cluster with singles and doubles and perturbative treatment of triples correlation treatment, relativistic small-core pseudopotential, and an extended basis set. Ab initio points are fit to a flexible analytical function. The calculated potentials are compared with available literature data, assessed in the I(-)-and I+-ion mobility calculations and the Ar-I(-)-anion zero electron kinetic-energy spectra simulations, and analyzed using the correlation rules. The results indicate a high precision of the reported potentials.
authors.affiliation: Laboratory of Molecular Structure and Quantum Mechanics, Department of Chemistry, Moscow State University, Moscow 119992, Russia. alexei@classic.chem.msu.su
authors.forename: A A
authors.initials: AA
authors.lastname: Buchachenko
authors.forename: T V
authors.initials: TV
authors.lastname: Tscherbul
authors.forename: J
authors.initials: J
authors.lastname: Kłos
authors.forename: M M
authors.initials: MM
authors.lastname: Szcześniak
authors.forename: G
authors.initials: G
authors.lastname: Chałasiński
authors.forename: R
authors.initials: R
authors.lastname: Webb
authors.forename: L A
authors.initials: LA
authors.lastname: Viehland