Very accurate non-Born–Oppenheimer variational calculations of the ground state of have been performed using explicitly correlated Gaussian functions with preexponential factors dependent on powers of the internuclear distance. In order to determine the positron detachment energy of and the dissociation energy corresponding to the fragmentation into HPs and we also calculated non-BO energies of HPs, LiH, and For all the systems the calculations provided the lowest ever-reported variational upper-bounds to the ground state energies. Annihilation rates of HPs and were also computed. The dissociation energy of into HPs and was determined to be 0.036 548 hartree.
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© 2004 American Institute of Physics.
2004
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