3 papers
physics.atom-ph2025
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…
physics.chem-ph2025
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
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.…