4 papers
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 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…
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 wavefunct…
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…