First principles determination of the bound levels of HeLi-.

Autor: Backlund, Ben, Shih, Alex, Gellene, Gregory I.
Předmět:
Zdroj: Journal of Chemical Physics; 12/15/2004, Vol. 121 Issue 23, p11798-11801, 4p, 2 Charts, 2 Graphs
Abstrakt: An analytical potential energy curve is developed from high quality ab initio calculations for the He+Li- interaction. The HeLi- electrostatic complex is found to have an Re of 18.5 bohrs and a De of 0.974 cm-1. Numerical solution of the rovibrational Schrödinger equation with this potential indicates two bound levels, (v,J)=(0,0) and (0,1), for all naturally occurring isotopologs (i.e., 4He7Li-, 4He6Li-, 3He7Li-, and 3He6Li-). For the common isotopolog, 4He7Li-, a D0 of 0.207 cm-1 and an R0 of 26.5 bohrs is determined. © 2004 American Institute of Physics. [ABSTRACT FROM AUTHOR]
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