Ground bound state in the fully adiabatic ∞H2+ ion -: art. no. 064501

The fully adiabatic H-infinity(2)+ ion is considered by using the improved version of our multibox variational procedure [A.M. Frolov, Phys. Rev. E 64, 036704 (2001)]. This procedure has been developed and successfully tested in highly accurate computations of bound-state spectra of various three-body systems. Note that our method is not based on the Born-Oppenheimer approximation, i.e., it is a nonadiabatic approach. In this study, we determine the ground-state energies of the adiabatic HD+, HT+, and T-2(+) ions with finite nuclear masses. The computed variational energies for the HD+, HT+, and T-2(+) ions are -0.597 897 968 645 036 508 a.u., -0.598 176 134 669 766 232 a.u., and -0.599 506 910 111 541 451 13 a.u., respectively. The ground-state energy and bound-state properties of H-infinity(2)+ ion are also presented. In general, the observed agreement between our variational energies and analogous energies determined with the use of pure adiabatic methods can be considered as very good.