63 citations · 107 across the 4 of their papers we have counts for
4 papers
Many-Body Theory Calculations of Positron Scattering and Annihilation in H, N and CH
C. M. Rawlins, J. Hofierka, B. Cunningham +2
The recently developed ab initio many-body theory of positron molecule binding [J. Hofierka et al., Nature, 606, 688 (2022)] is combined with the shifted pseudostates method [A. R.…
Many-body Theory Calculations of Positron Binding to Halogenated Hydrocarbons
J. P. Cassidy, J. Hofierka, B. Cunningham +3
Positron binding energies in halogenated hydrocarbons are calculated \emph{ab initio} using many-body theory. For chlorinated molecules, including planars for which the interaction…
Binding energies of molecular solids from fragment and periodic approaches
J. Hofierka, J. Klimes
We calculate binding energies of four molecular solids using the Hartree-Fock (HF) and second-order Møller-Plesset perturbation theory (MP2). We obtain the energies within many-bod…
Many-body theory of positron binding in polyatomic molecules
J. Hofierka, B. Cunningham, C. M. Rawlins +2
Positrons bind to molecules leading to vibrational excitation and spectacularly enhanced annihilation. Whilst positron binding energies have been measured via resonant annihilation…