10 citations · 28 across the 3 of their papers we have counts for
Showing physics.chem-phShow all
2 papers · 1 filter
physics.chem-ph2023★ 8 cited
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…