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

Research output: Contribution to journalJournal article


Journal publication date2010
JournalChemistry Letters
Journal number11
Number of pages2
Original languageEnglish


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.