Chemical Physics Letters

Paper

01 Apr 1979

Interaction potential for the X¹Σ state of Li⁺ + Ar

View publication

Abstract

The ground state potential curve of LiAr+ was calculated using the configuration interaction (CI) method. Analysis of computational errors and comparison with experimental differential cross section data yields σ = 3.66 ± 0.05 αo, Re= 4.44 ± 0.05 αo, and De = 0.30 ± 0.01 eV for the potential well parameters. © 1979.

Paper

Ab initio configuration interaction study of the low-lying electronic states of MgH

R.P. Saxon, K. Kirby, et al.

The Journal of Chemical Physics

Paper

Potential curve for linear symmetric H₃

B. Liu

International Journal of Quantum Chemistry

Paper

Ab initio calculations for the X²Σ, A²Π, and B²Σ states of NaAr: Emission spectra and cross sections for fine-structure transitions in Na-Ar collisions

Roberta P. Saxon, R.E. Olson, et al.

The Journal of Chemical Physics

Paper

Second row homopolar diatomic molecules. Potential curves, spectroscopic constants, and dissociation energies at the basis set limit for SCF and limited CI wave functions

A.D. McLean, B. Liu, et al.

The Journal of Chemical Physics

View all publications