Skip to main content
Article thumbnail
Location of Repository

Spectroscopy of K+ •Rg and transport coefficients of K+ in Rg (Rg=He-Rn)

By Larry A. Viehland, Jérôme Lozeille, Pavel Soldán, Edmond P.F. Lee and Timothy G. Wright

Abstract

Ab initio calculations employing the coupled-cluster method, with single and double substitutions and accounting for triple excitations noniteratively [CCSD(T)], are used to obtain accurate potential energy curves for the K+.He, K+.Ne, K+.Ar, K+.Kr, K+.Xe, and K+.Rn cationic complexes. From these potentials, rovibrational energy levels and spectroscopic parameters are calculated. In addition, mobilities and diffusion coefficients for K+ cations moving through the six rare gases are calculated, under conditions that match previous experimental determinations. A detailed statistical comparison of the present and previous potentials is made with available experimental data, and critical conclusions are drawn as to the reliability of each set of data. It is concluded that the present ab initio potentials match the accuracy of the best model potentials and the most reliable experimental data

Topics: QD
Year: 2004
OAI identifier: oai:eprints.soton.ac.uk:20335
Provided by: e-Prints Soton

Suggested articles


To submit an update or takedown request for this paper, please submit an Update/Correction/Removal Request.