Chemistry Letters
Letter
A Variational Monte Carlo Study of Positronic Compounds Using Inhomogeneous Backflow Transformations
Yukiumi KitaMasanori TachikawaNeil D. DrummondRichard J. Needs
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Volume 39 (2010) Issue 11 Pages 1136-1137

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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.

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© 2010 The Chemical Society of Japan
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