Annihilation rate in positronic systems by quantum Monte Carlo. e$^+$LiH as test case
Abstract
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 to accumulate the positron-electron distribution function. The annihilation rate of eLiH 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.
Cite
@article{arxiv.physics/0110035,
title = {Annihilation rate in positronic systems by quantum Monte Carlo. e$^+$LiH as test case},
author = {Massimo Mella and Simone Chiesa and Gabriele Morosi},
journal= {arXiv preprint arXiv:physics/0110035},
year = {2009}
}
Comments
5 figures. Submitted to J. Chem. Phys