title: Interaction of the NO 3pπ (C (2)Π) Rydberg state with RG (RG = Ne, Kr, and Xe): potential energy surfaces and spectroscopy.
abstract: We present new potential energy surfaces for the interaction of NO(C (2)Π) with each of Ne, Kr, and Xe. The potential energy surfaces have been calculated using second order Møller-Plesset perturbation theory, exploiting a procedure to converge the reference Hartree-Fock wavefunction for the excited states: the maximum overlap method. The bound rovibrational states obtained from the surfaces are used to simulate the electronic spectra and their appearance is in good agreement with available (2+1) REMPI spectra. We discuss the assignment and appearance of these spectra, comparing to that of NO-Ar.
authors.affiliation: School of Chemistry, University of Nottingham, University Park, Nottingham NG7 2RD, United Kingdom.
authors.forename: Olga V
authors.initials: OV
authors.lastname: Ershova
authors.affiliation: Department of Chemistry and Biochemistry, University of Maryland, College Park, Maryland 20742-2021, USA.
authors.forename: Jacek
authors.initials: J
authors.lastname: Kłos
authors.affiliation: School of Chemistry, University of Nottingham, University Park, Nottingham NG7 2RD, United Kingdom.
authors.forename: Nicholas A
authors.initials: NA
authors.lastname: Besley
authors.affiliation: School of Chemistry, University of Nottingham, University Park, Nottingham NG7 2RD, United Kingdom.
authors.forename: Timothy G
authors.initials: TG
authors.lastname: Wright