DIRECT SOLUTION OF H-2(-EQUATION USING THE HYPERSPHERICAL COORDINATE() SCHRODINGER)

By introducing a Gaussian factor to describe the fact that the nuclei in H-2(+) vibrate around a fixed point, we have modified the method of hyperspherical harmonics recently proposed by us. The modified method has been applied to solve the three-body Schrodinger equation for H-2 (+) directly without recourse to the Born-Oppenheimer approximation an d the calculations yield well-converged ground-state energies. These a re the first-reported results obtained for H-2(+) by the method of hyp erspherical harmonics. With 25 hyperspherical harmonics and 40 general ized-laguerre functions, we obtain a ground-state energy of -0.5945 au , which is close to the exact value of -0.5971 au. A detailed presenta tion of the method of modified hyperspherical harmonics is presented.