The ground state of e +LiH was discussed to measure non-Born-Oppenheimer (BO) variational approximations using correlated Gaussian functions with preexponential factors. The non-BO energies of HPs, LiH and Li + were also determined to calculate positron detachment energy of e +LiH and dissociation energy corresponding to e +LiH fragmentation into HPs and Li +. The lowest variational upper-bounds to ground state energies were observed for all systems. The e +LiH dissociation energy was found to be 0.036548 hartree and annihilation rates of HPs and e +LiH were also calculated.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry