Cross-section investigation of MgOH (X ² Σ ⁺ ) fine-structure excitation by helium

Abstract

Inelastic fine rotational cross-sections of the magnesium monohydroxide (MgOH) molecule by collision with helium (He) atoms are investigated. We illustrate the two-dimensional potential energy surface (2D-PES) for the MgOH–He interacting system. The ab initio 2D-PES is computed using the restricted coupled cluster approach with single, double, and perturbative triple excitation connected to an augmented-correlation consistent-polarized valence quadruple zeta Gaussian basis set. One minimum located at (θ = 0°; R = 8.25 bohr) on the side of the hydrogen atom is observed. Inelastic cross-sections are investigated for the 13 first fine rotational levels for a total energy up to 100 cm−1. Propensity rules toward odd ΔN and ΔN = Δj are found.