activity
20192025
most citedTowards breaking the curse of dimensionality in (ro)vibrational computations of molecular systems with multiple large-amplitude motions

28 citations · 139 across the 9 of their papers we have counts for

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Showing 2022Show all

2 papers · 1 filter

physics.chem-ph2022★ 26 cited

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…

physics.chem-ph2022★ 15 cited

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.…