J. Brust et Ch. Greene, THEORETICAL INVESTIGATION OF BARIUM-HELIUM COLLISIONS .1. THE ADIABATIC POTENTIAL CURVES, Physical review. A, 56(3), 1997, pp. 2005-2012
Collisions between ground-state helium atoms and excited barium atoms
in the (6p)P-3(J), (5d)D-1(2), and (5d)D-3(J) states are treated theor
etically. Born-Oppenheimer potential curves are calculated with a comb
ination of semiempirical model potentials and pseudopotentials to repr
esent the interactions between the valence electrons of the barium ato
m and the closed-shell cores. The molecular basis set is constructed f
rom numerical eigenstates of the Ba+ ion. Spin-orbit coupling is inclu
ded explicitly in the e(-)-Ba2+ interaction Hamiltonian. We report hig
her-lying potential curves correlated with the metastable (5d(2))F-3(J
) states.