The structure ofe+LiH

摘要: The stochastic variational method (SVM) has been used to confirm the prediction of a quantum Monte Carlo (QMC) calculation (Bressanini et al 1998 J. Chem. Phys. 109 1716) that positron can be bound lithium hydride molecule (LiH). adiabatic approximation was not made and nuclear motion explicitly included in calculation. A completely ab initio gave binding energy 0.613 eV constitutes an explicit demonstration restricted Born-Oppenheimer approximation. fixed-core variant SVM also with Li+ 1s2 core. 0.909 eV, which is approximately same as previously reported QMC mean inter-nuclear radius 3.96 a0 2γ annihilation rate e+LiH ground state 1.64×109 s-1.