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

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<mark>Journal publication date</mark>2010
<mark>Journal</mark>Chemistry Letters
Issue number11
Volume39
Number of pages2
Pages (from-to)1136-1137
<mark>State</mark>Published
<mark>Original language</mark>English

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.