21 citations · 45 across the 8 of their papers we have counts for
8 papers
Many-body theory predictions of positron binding energies in five-membered heterocycles involving N, O, S and NH substituents
S. K. Gregg, D. G. Green
Positron binding energies and Dyson orbitals for five-membered heterocycles with N, O, S and NH substituents are predicted \emph{ab initio} via many-body theory. The positron-molec…
Coupled cluster theory for positron binding in anions and polyatomic molecules
Rosario R. Riso, Jan Haakon M. Trabski, Federico Rossi +2
We present the positron coupled cluster singles and doubles (POS-CCSD) method to calculate positron binding energies in molecules. This framework treats electrons and positrons on…
Many-body theory and Gaussian-basis implementation of positron annihilation -ray spectra on polyatomic molecules
S. K. Gregg, J. P. Cassidy, A. R. Swann +3
Doppler-broadened -ray spectra for positron annihilation on molecules are calculated using many-body theory. By employing Gaussian bases for the electron and positron wavefuncti…
Many-body theory calculations of positron binding to parabenzoquinone
S. K. Gregg, J. Hofierka, B. Cunningham +1
Positron binding in parabenzoquinone is studied using \textit{ab initio} many-body theory. The effects of electron-positron correlations including polarization, virtual positronium…
Positron annihilation and binding in aromatic and other ring molecules
E. Arthur-Baidoo, J. R. Danielson, C. M. Surko +6
Annihilation spectra are presented for aromatic and heterocyclic ring molecules resolved as a function of incident positron energy using a trap-based positron beam. Comparisons wit…
Many-body theory calculations of positronic-bonded molecular dianions
J. P. Cassidy, J. Hofierka, B. Cunningham +1
The energetic stability of positron di-anion systems [AA] is studied via many-body theory, where includes H, F, Cl and the molecular anions (CN…
Gaussian-basis many-body theory calculations of positron binding to negative ions and atoms
J. Hofierka, B. Cunningham, C. M. Rawlins +2
Positron binding energies in the negative ions H, F, Cl and Br, and the closed-shell atoms Be, Mg, Zn and Ca, are calculated via a many-body theory approach develop…
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.…