59 citations · 223 across the 10 of their papers we have counts for
10 papers
Roadmap for Molecular Benchmarks in Nonadiabatic Dynamics
Léon E. Cigrang, Basile F. E. Curchod, Rebecca A. Ingle +42
Simulating the coupled electronic and nuclear response of a molecule to light excitation requires the application of nonadiabatic molecular dynamics. However, when faced with a spe…
The hydrogen molecule in inclined configuration in a weak magnetic field
A. Alijah, J. C. López Vieyra, D. J. Nader +2
Highly accurate variational calculations, based on a few-parameter, physically adequate trial function, are carried out for the hydrogen molecule \hh in inclined configuration, whe…
A global potential energy surface for H
I. I. Mizus, O. L. Polyansky, Laura K. McKemmish +3
A globally correct potential energy surface (PES) for the \hp\ molecular ion is presented. The Born-Oppenheimer (BO) \ai\ grid points of Pavanello et. al. [\textit{J. Chem. Phys.}…
High accuracy calculations of the rotation-vibration spectrum of H
Jonathan Tennyson, Oleg L. Polyansky, Nikolai F. Zobov +2
Calculation of the rotation-vibration spectrum of H3+, as well as of its deuterated isotopologues, with near-spectroscopic accuracy requires the development of sophisticated theore…
ExoMol molecular line lists XX: a comprehensive line list for H
Irina I. Mizus, Alexander Alijah, Nikolai F. Zobov +5
H is a ubiquitous and important astronomical species whose spectrum has been observed in the interstellar medium, planets and tentatively in the remnants of supernova SN1897a…
Lifetimes and wave functions of ozone metastable vibrational states near the dissociation limit in full symmetry approach
David Lapierre, Alexander Alijah, Roman Kochanov +2
Energies and lifetimes (widths) of vibrational states above the lowest dissociation limit of O were determined using a previously-developed efficient approach, which com…