26 citations · 46 across the 3 of their papers we have counts for
3 papers
CHF revisited: Full-dimensional ab initio potential energy surface and variational vibrational states
Dóra Papp, Viktor Tajti, Gustavo Avila +2
The automated development of a new ab initio full-dimensional potential energy surface (PES) is reported for the CHF complex using the ROBOSURFER program package. The…
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…
Variational vibrational states of HCOOH
Alberto Martín Santa Daría, Gustavo Avila, Edit Mátyus
Vibrational states of the formic acid molecule are converged using the GENIUSH-Smolyak approach and the potential energy surface taken from [D. Tew and W. Mizukami, J. Phys. Chem.…