The MM ro-vibrational line list for methane (12CH4) is presented; MM covers wavelengths
λ> 0.83 μm (wavenumbers up to 12 000 cm− 1) and contains over 50 billion transitions …

The use of variational nuclear motion programs to compute line lists of transition frequencies
and intensities is now a standard procedure. The ExoMol project has used this technique to …

We present a general, numerically motivated approach to the construction of symmetry-
adapted basis functions for solving ro-vibrational Schrödinger equations. The approach is …

Abstract New nine-dimensional (9D), ab initio electric dipole moment surfaces (DMSs) of
methane in its ground electronic state are presented. The DMSs are computed using an …

We present an extensive study of the five-dimensional potential energy and induced dipole
surfaces of the CH4–N2 complex assuming rigid-rotor approximation. Within the …

Projector theory can serve as a powerful tool to perform the symmetric computation of
molecular systems. The work of William Harter has long demonstrated the effectiveness of …

Rovibrational states of four dimers formed by the light and the heavy isotopologues of the
methane and water molecules are computed using a potential energy surface taken from the …

The carbon dioxide Raman spectrum is simulated within an algebraic approach based on
curvilinear coordinates in a local representation. The two main advantages of the present …

A polyad-conserving algebraic model applied to vibrational excitations of asymmetric
isotopologues of CO2 is presented. First, the problem of vibrational excitations is studied by …

Traditionally, molecules are theoretically described as near-static structures rotating in
space. Vibrational motion causing small structural deformations induces a perturbative …