activity
20232025
most citedMany-body theory calculations of positronic-bonded molecular dianions

11 citations · 30 across the 6 of their papers we have counts for

collaborators

6 papers

physics.atom-ph2025★ 1 cited

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…

physics.chem-ph2025★ 1 cited

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…

physics.chem-ph2024★ 6 cited

Impact of dipole self-energy on cavity-induced nonadiabatic dynamics

Csaba Fábri, Gábor J. Halász, Jaroslav Hofierka +2

The coupling of matter to the quantized electromagnetic field of a plasmonic or optical cavity can be harnessed to modify and control chemical and physical properties of molecules.…

physics.chem-ph2023★ 9 cited

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…

physics.chem-ph2023★ 11 cited

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…

physics.atom-ph2023★ 2 cited

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…