A variational Monte Carlo study of positronic compounds using inhomogeneous backflow transformations

Kita, Y. and Tachikawa, M. and Drummond, Neil and Needs, R. J. (2010) A variational Monte Carlo study of positronic compounds using inhomogeneous backflow transformations. Chemistry Letters, 39 (11). pp. 1136-1137. ISSN 0366-7022

Abstract

A variational Monte Carlo study using inhomogeneous 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.