Accurate potential energy curves for HeO-, NeO-, and ArO-: spectroscopy and transport coefficients.
We calculate accurate potential energy curves for HeO(-), NeO(-), and ArO(-), including the full counterpoise correction and allowing for spin-orbit effects. Comparison with previous curves is presented, where these are available. The three curves, (2)Sigma(12) (+), (2)Pi(12), and (2)Pi(32), are used to derive spectroscopic constants and to calculate the transport coefficients for O(-) moving in a bath of the respective rare gas. Conclusions are made based on a comparison with the available data.
Viehland
Larry A
LA
Division of Science, Chatham College, Pittsburgh, Pennsylvania 15232, USA. Viehland@chatham.edu
Webb
Rhonda
R
Lee
Edmond P F
EP
Wright
Timothy G
TG