10 citations · 10 across the 1 of their papers we have counts for
3 papers
physics.chem-ph2023
Vibrational infrared and Raman spectrum of HCOOH from variational computations
Gustavo Avila, Alberto Martín Santa Daría, Edit Mátyus
All vibrational energies of the (trans-, cis-, delocalized-) formic acid molecule are converged up to 4500 cm beyond the zero-point vibrational energy with the GENIUSH-Smoly…
physics.chem-ph2023★ 10 cited
Lower bounds on par with upper bounds for few-electron atomic energies
Miklos Ronto, Peter Jeszenszki, Edit Mátyus +1
The development of computational resources has made it possible to determine upper bounds for atomic and molecular energies with high precision. Yet, error bounds to the computed e…
quant-ph2023
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…