43 citations · 293 across the 19 of their papers we have counts for
20 papers
Two-center Dirac equation in a Gaussian basis set
Dávid Ferenc
A method for solving the two-center Dirac equation using a Gaussian-product basis set tailored to the axial symmetry of diatomic systems is presented. For the ground state of H$_2^…
Gaussian basis set approach to one-loop self-energy
Dávid Ferenc, Maen Salman, Trond Saue
We report a method for the evaluation of the one-loop self-energy, to all orders in the external binding field, using a Gaussian basis set expansion. This choice of basis is motiva…
Regularized relativistic corrections for polyelectronic and polyatomic systems with explicitly correlated Gaussians
Balázs Rácsai, Dávid Ferenc, Ádám Margócsy +1
Drachmann's regularization approach is implemented for floating explicitly correlated Gaussians (fECGs) and molecular systems. Earlier applications of drachmannized relativistic co…
Pre-Born-Oppenheimer Dirac-Coulomb-Breit computations for two-body systems
Dávid Ferenc, Edit Mátyus
The sixteen-component, no-pair Dirac--Coulomb--Breit equation, derived from the Bethe--Salpeter equation, is solved in a variational procedure using Gaussian-type basis functions f…
The Bethe-Salpeter QED wave equation for bound-state computations of atoms and molecules
Edit Mátyus, Dávid Ferenc, Péter Jeszenszki +1
Interactions in atomic and molecular systems are dominated by electromagnetic forces and the theoretical framework must be in the quantum regime. The physical theory for the combin…
Pre-Born-Oppenheimer energies, leading-order relativistic and QED corrections for electronically excited states of molecular hydrogen
Eszter Saly, Dávid Ferenc, Edit Mátyus
For rovibronic states corresponding to the and electronic states of the hydrogen molecule, the pre-Born--Oppenheimer (four-particle) non-relativistic energ…
Evaluation of the Bethe logarithm: from atom to chemical reaction
Dávid Ferenc, Edit Mátyus
A general computational scheme for the (non-relativistic) Bethe logarithm is developed opening the route to `routine' evaluation of the leading-order quantum electrodynamics correc…
Variational versus perturbative relativistic energies for small and light atomic and molecular systems
Dávid Ferenc, Péter Jeszenszki, Edit Mátyus
Variational and perturbative relativistic energies are computed and compared for two-electron atoms and molecules with low nuclear charge numbers. In general, good agreement of the…
Benchmark potential energy curve for collinear H
Dávid Ferenc, Edit Mátyus
A benchmark-quality potential energy curve is reported for the H system in collinear nuclear configurations. The electronic Schrödinger equation is solved using explicitly corr…
Vibronic mass computation for the -- manifold of molecular hydrogen
Edit Mátyus, Dávid Ferenc
A variational procedure is described for the computation of the non-adiabatic mass-correction tensor applicable for multi-dimensional electronic manifolds. The 30-year-old computat…
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…
Non-adiabatic, Relativistic, and Leading-order QED Corrections for Rovibrational Intervals of He ()
Dávid Ferenc, Vladimir I. Korobov, Edit Mátyus
The rovibrational intervals of the He molecular ion in its ground electronic state are computed by including the non-adiabatic, relativistic, and lead…
Non-adiabatic mass correction for excited states of molecular hydrogen: improvement for the outer-well term values
Dávid Ferenc, Edit Mátyus
The mass-correction function is evaluated for selected excited states of the hydrogen molecule within a single-state non-adiabatic treatment. Its qualitative features are studied u…
Precise computation of rovibronic resonances of molecular hydrogen: inner-well rotational states
Dávid Ferenc, Edit Mátyus
Selected states of the electronic manifold of the hydrogen molecule are computed as resonances of the four-body problem. Systematic improvement of the basis…
Bound and unbound rovibrational states of the methane-argon dimer
Dávid Ferenc, Edit Mátyus
Peculiarities of the intermolecular rovibrational quantum dynamics of the methane-argon complex are studied using a new, ab initio potential energy surface [Y. N. Kalugina, S. E. L…
Universal pion freeze-out phase-space density
D. Ferenc, U. Heinz, B. Tomasik +2
Results on the pion phase-space density at freeze-out in sulphur-nucleus, Pb-Pb and pi-p collisions at the CERN SPS are presented. All heavy-ion reactions are consistent with the t…
Universal Pion Freeze-out Phase-Space Density
Daniel Ferenc, Boris Tomasik, Ulrich Heinz
Results on the pion freeze-out phase-space density in sulphur-nucleus, Pb-Pb and pion-proton collisions at CERN-SPS are presented. All heavy-ion reactions are consistent with the t…