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First principles determination of the bound levels of HeLi-
Ben Backlund1, Alex Shih, Gregory I Gellene
1Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409-1061, USA.
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 3He6Li-). For the common isotopolog, 4He7Li-, a D0 of 0.207 cm(-1) and an R0 of 26.5 bohrs is determined.
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