2001/10/12 by Massimo Mella, Simone Chiesa, Gabriele Morosi
Engineering · Physics and Astronomy · #Atomic and Molecular Physics #Muon and positron interactions and applications #Neutrino Physics Research #physics.chem-ph
paper · pdf · doi:10.1063/1.1436464
5 figures. Submitted to J. Chem. Phys
arxiv created 2001/10/12 · openalex publication_date 2002/02/15 · arxiv updated 2009/12/01 · openalex created_date 2016/06/24 · openalex updated_date 2026/08/04
An accurate method to compute the annihilation rate in positronic systems by means of quantum Monte Carlo simulations is tested and compared with previously proposed methods using simple model systems. This method can be applied within all the quantum Monte Carlo techniques, just requiring the accumulation of the positron–electron distribution function. The annihilation rate of e+LiH as a function of the internuclear distance is studied using a model potential approach to eliminate the core electrons of Li, and explicitly correlated wave functions to deal with all the remaining particles. These results allow us to compute vibrationally averaged annihilation rates, and to understand the effect of the Li+ electric field on positron and electron distributions.