TY - JOUR
T1 - First principles determination of the bound levels of HeLi-
AU - Backlund, Ben
AU - Shih, Alex
AU - Gellene, Gregory I.
PY - 2004/12/15
Y1 - 2004/12/15
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=11044231990&partnerID=8YFLogxK
U2 - 10.1063/1.1810131
DO - 10.1063/1.1810131
M3 - Article
C2 - 15634143
AN - SCOPUS:11044231990
SN - 0021-9606
VL - 121
SP - 11798
EP - 11801
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
IS - 23
M1 - 4
ER -