title: Theoretical study of M(+)-RG complexes (M = Ga, In; RG = He-Rn).
abstract: We present potential energy curves calculated at the CCSD(T) level of theory for Ga(+)-RG and In(+)-RG complexes (RG = He-Rn). Spectroscopic parameters have been derived from these potentials and compared to previously calculated parameters for the Al(+)-RG and Tl(+)-RG complexes. Additionally, for some cases, we compare these parameters with those obtained from electronic spectroscopic studies on excited states of the neutral species, arising from atomic-based d ← p excitations. The Ga(+)-RG and In(+)-RG potentials have also been used to calculate the transport coefficients for M(+) traveling through a bath of RG atoms.
authors: School of Chemistry, University of Nottingham, University Park, Nottingham NG7 2RD, UK.
authors: Adrian M
authors: AM
authors: Gardner
authors: Kayla A
authors: KA
authors: Gutsmiedl
authors: Timothy G
authors: TG
authors: Wright
authors: Edmond P F
authors: EP
authors: Lee
authors: W H
authors: WH
authors: Breckenridge
authors: Shristi
authors: S
authors: Rajbhandari
authors: Chivone Y N
authors: CY
authors: Chapman
authors: Larry A
authors: LA
authors: Viehland