Jaroslav Hofierka

most citedBinding energies of molecular solids from fragment and periodic approaches

9 citations · 9 across the 1 of their papers we have counts for

collaborators

3 papers

physics.atom-ph2025★ 1 cited

Many-body theory and Gaussian-basis implementation of positron annihilation $γ$ -ray spectra on polyatomic molecules

S. K. Gregg, J. P. Cassidy, A. R. Swann +3

Doppler-broadened $γ$ -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-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-ph2022★ 9 cited

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 and Gaussian-basis implementation of positron annihilation γ-ray spectra on polyatomic molecules

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

Binding energies of molecular solids from fragment and periodic approaches

Many-body theory and Gaussian-basis implementation of positron annihilation $γ$ -ray spectra on polyatomic molecules