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Chemistry Letters
Vol. 39 (2010) No. 11 P 1136-1137




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.

Copyright © 2010 The Chemical Society of Japan

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