32 citations · 170 across the 13 of their papers we have counts for
4 papers · 1 filter
On the Breit interaction in an explicitly correlated variational Dirac-Coulomb framework
Dávid Ferenc, Péter Jeszenszki, Edit Mátyus
The Breit interaction is implemented in the no-pair variational Dirac-Coulomb (DC) framework using an explicitly correlated Gaussian basis reported in the previous paper [Paper I:…
Variational Dirac-Coulomb explicitly correlated computations for atoms and molecules
Péter Jeszenszki, Dávid Ferenc, Edit Mátyus
The Dirac-Coulomb equation with positive-energy projection is solved using explicitly correlated Gaussian functions. The algorithm and computational procedure aims for a parts-per-…
On the inclusion of cusp effects in expectation values with explicitly correlated Gaussians
Péter Jeszenszki, Robbie T. Ireland, Dávid Ferenc +1
This paper elaborates the integral transformation technique of [K. Pachucki, W. Cencek, and J. Komasa, J. Chem. Phys. 122, 184101 (2005)] and uses it for the case of the non-relati…
All-order relativistic computations for atoms and molecules using an explicitly correlated Gaussian basis
Péter Jeszenszki, Dávid Ferenc, Edit Mátyus
A variational solution procedure is reported for the many-particle no-pair Dirac-Coulomb-Breit Hamiltonian aiming at a parts-per-billion (ppb) convergence of the atomic and molecul…