HeH(+) under Spatial Confinement

In the present study, the influence of spatial confinement on the bond length as well as dipole moment, polarizability and (hyper)polarizabilities of HeH [Formula: see text] ion was analyzed. The effect of spatial confinement was modelled by cylindrically symmetric harmonic oscillator potential, that can be used to mimic high pressure conditions. Based on the conducted research it was found that the spatial confinement significantly affects the investigated properties. Increasing the confinement strength leads to a substantial decrease of their values. This work may be of particular interest for astrochemistry as HeH [Formula: see text] is believed to be the first compound to form in the Universe.