A Variational Monte Carlo Study of Positronic Compounds Using Inhomogeneous Backflow Transformations

作者:Kita Yukiumi*; Tachikawa Masanori; Drummond Neil D; Needs Richard J
来源:Chemistry Letters, 2010, 39(11): 1136-1137.
DOI:10.1246/cl.2010.1136

摘要

A variational Monte Carlo study using inhomogencous backflow transformations is reported for the [H-,e(+)] and [Li-,e(+)] positronic compounds The backflow transformations greatly Improve the total energies, positron affinities, and two-photon annihilation rates The Slater-Jastrow-backflow trial wave function is well suited to the theoretical analysis of positronic compounds

  • 出版日期2010-11-5