First principles determination of the bound levels of HeLi-

Ben Backlund, Alex Shih, Gregory I. Gellene

Research output: Contribution to journalArticlepeer-review

1 Scopus citations

Abstract

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 3He 6Li-). For the common isotopolog, 4He 7Li-, a D0 of 0.207 cm-1 and an R0 of 26.5 bohrs is determined.

Original languageEnglish
Article number4
Pages (from-to)11798-11801
Number of pages4
JournalJournal of Chemical Physics
Volume121
Issue number23
DOIs
StatePublished - Dec 15 2004

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