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

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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.

Item Type:
Journal Article
Journal or Publication Title:
Chemistry Letters
Uncontrolled Keywords:
/dk/atira/pure/core/keywords/physics
Subjects:
?? physicsgeneral chemistrychemistry(all)qc physics ??
ID Code:
55595
Deposited By:
Deposited On:
10 Jul 2012 08:01
Refereed?:
Yes
Published?:
Published
Last Modified:
16 Jul 2024 09:05