Molecular rotation, vibration, internal rotation, isomerization, tunneling, intermolecular
dynamics of weakly and strongly interacting systems, intra-to-inter-molecular energy …

Abstract Knowledge of intensities of rovibrational transitions of various molecules and theirs
isotopic species in wide spectral and temperature ranges is essential for the modeling of …

Developments during the last two decades in nuclear motion theory made it possible to
obtain variational solutions to the time-independent, nuclear-motion Schrödinger equation of …

In this perspective, I review methods for computing (ro-) vibrational energy levels and
wavefunctions of molecules with more than four atoms. I identify three problems one …

When determining energy levels from several, in cases many, measured and assigned high-
resolution molecular spectra according to the Ritz principle, it is advantageous to investigate …

The W2020 database of validated experimental transitions and accurate empirical energy
levels of water isotopologues, introduced in the work of Furtenbacher et al.[J. Phys. Chem …

In this paper, a novel methodology is presented for the construction of ab initio effective
rotation–vibration spectroscopic models from potential energy and dipole moment surfaces …

Several significant improvements are proposed to the computational molecular
spectroscopy protocol MARVEL (Measured Active Rotational–Vibrational Energy Levels) …

This paper is the fourth of a series of papers reporting critically evaluated rotational–
vibrational line positions, transition intensities, pressure dependences, and energy levels …

We report global calculations of rovibrational spectra and dipole transition intensities of
methane using our recent ab initio dipole moment and potential surfaces [Nikitin et al …