28 citations · 139 across the 9 of their papers we have counts for
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physics.chem-ph2019★ 18 cited
Exact quantum dynamics background of dispersion interactions: case study for CHAr in full (12) dimensions
Gustavo Avila, Dóra Papp, Gábor Czakó +1
A full-dimensional \emph{ab initio} potential energy surface of spectroscopic quality is developed for the van-der-Waals complex of a methane molecule and an argon atom. Variationa…
physics.chem-ph2019★ 18 cited
Full-dimensional (12D) variational vibrational states of CHF: interplay of anharmonicity and tunneling
Gustavo Avila, Edit Matyus
The complex of a methane molecule and a fluoride anion represents a 12-dimensional (12D), four-well vibrational problem with multiple large-amplitude motions, which has challenged…
physics.chem-ph2019★ 28 cited
Towards breaking the curse of dimensionality in (ro)vibrational computations of molecular systems with multiple large-amplitude motions
Gustavo Avila, Edit Matyus
Methodological progress is reported in the challenging direction of a black-box-type variational solution of the (ro)vibrational Schrödinger equation applicable to floppy, polyatom…