13 citations · 49 across the 8 of their papers we have counts for
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Exact quantum dynamics of methanol: full-dimensional ab initio potential energy surface of spectroscopic quality and variational vibrational states
Ayaki Sunaga, Tibor Győri, Gábor Czakó +1
The methanol molecule is a sensitive probe of astrochemistry, astrophysics, and fundamental physics. The first-principles elucidation and prediction of its rotation-torsional-vibra…
Hyperfine rovibrational states of H in a weak external magnetic field
Gustavo Avila, Ayaki Sunaga, Stanislav Komorovsky +1
Rovibrational energies, wave functions, and Raman transition moments are reported for the lowest-energy states of the H molecular ion including the magnetic couplings of the…
Variational Vibrational States of Methanol (12D)
Ayaki Sunaga, Gustavo Avila, Edit Matyus
Full-dimensional (12D) vibrational states of the methanol molecule (CHOH) have been computed using the GENIUSH-Smolyak approach and the potential energy surface from Qu and Bow…
One-particle operator representation over two-particle basis sets for relativistic QED computations
Péter Hollósy, Péter Jeszenszki, Edit Mátyus
This work is concerned with two-spin-1/2-fermion relativistic quantum mechanics, and it is about the construction of one-particle projectors using an inherently two(many)-particle,…
Bound-state relativistic quantum electrodynamics: a perspective for precision physics with atoms and molecules
Ádám Nonn, Ádám Margócsy, Edit Mátyus
Precision physics aims to use atoms and molecules to test and develop the fundamental theory of matter, possibly beyond the Standard Model. Most of the atomic and molecular phenome…
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…
Methane dimer rovibrational states and Raman transition moments
Alberto Martín Santa Daría, Gustavo Avila, Edit Mátyus
Benchmark-quality rovibrational data are reported for the methane dimer from variational nuclear motion computations using an ab initio intermolecular potential energy surface repo…
QED corrections to the correlated relativistic energy: one-photon processes
Adám Margócsy, Edit Mátyus
This work is a collection of initial calculations and formal considerations within the Salpeter-Sucher exact equal-time relativistic quantum electrodynamics framework. The calculat…