26 citations · 103 across the 7 of their papers we have counts for
7 papers
The Molecular Quantum electro-Dynamics Research Group in Budapest
Edit Matyus
This article briefly overviews the scientific activities of the Molecular Quantum (electro-)Dynamics (MQD) Research Group in Budapest. Since its foundation in 2016, the MQD group h…
Relativistic two-electron atomic and molecular energies using coupling and double groups: role of the triplet contributions to singlet states
Péter Jeszenszki, Edit Mátyus
The triplet contribution is computed to the 1 and 2 states of the He atom, to the state of the Li and Be ions, and to the $X\ ^1Σ_…
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…
High-dimensional neural network potentials for accurate vibrational frequencies: The formic acid dimer benchmark
Dilshana Shanavas Rasheeda, Alberto Martín Santa Daría, Benjamin Schröder +2
In recent years, machine learning potentials (MLP) for atomistic simulations have attracted a lot of attention in chemistry and materials science. Many new approaches have been dev…
Exact quantum dynamics developments for floppy molecular systems and complexes
Edit Mátyus, Alberto Martín Santa Daría, Gustavo Avila
Molecular rotation, vibration, internal rotation, isomerization, tunneling, intermolecular dynamics of weakly and strongly interacting systems, intra-to-inter-molecular energy tran…
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…