The static dipole polarizabilities of the lithium dimer, its cation and anion
Résumé
The static dipole polarizability components (α∥, and α⊥) of Li2, Li2+, and Li2- in their electronic ground states have been calculated using a pseudopotential treatment for the core electrons. Valence-electron correlation has been incorporated by the method of configuration interaction. Values for different bond lengths are used to obtain vibrational and thermodynamic averages. For T=300 K, we found for Li 2, α∥=361 and α⊥=141 (in a.u.) and for Li2+, α∥=63 and α⊥=57. For Li2-, the precision of the determined values does not warrant a thermodynamic averaging and we report only one pair of values for the bond length of 5.88 bohr, namely, α∥=700 and α⊥=334. Only one experimental polarizability is known, that for the isotropic component of Li2 at T=990 K; our calculated value agrees well with this value. © 1984 American Institute of Physics.