Sh. Patil et Kt. Tang, Simple model potential and model wave functions for (H-alkali)(+) and (alkali-alkali)(+) ions, J CHEM PHYS, 113(2), 2000, pp. 676-682
A simple model potential is proposed to describe the interaction of a valen
ce electron with the alkali core, which incorporates the correct asymptotic
behavior in terms of dipolar polarizabilities, and the short-range exchang
e effects in terms of a hard core adjusted to give the correct energy for t
he valence electron. Based on this potential, simple wave functions are dev
eloped to describe the (H-alkali)(+) and (alkali-alkali)(+) ions. These wav
e functions exhibit some important structures of the ions, and provide a un
iversal description of the properties of all (H-alkali)(+) and (alkali-alka
li)(+) ions, in particular, the equilibrium separations of the nuclei and t
he corresponding dissociation energies. They also allow us to calculate the
dipolar polarizabilities of Li-2(+), Na-2(+), K-2(+), Rb-2(+), and Cs-2(+)
. (C) 2000 American Institute of Physics. [S0021-9606(00)01325-8].