Collisional excitation of interstellar PN by H₂: New interaction potential and scattering calculations

Rotational excitation of interstellar PN molecules induced by collisions with H2 is investigated. We present the first ab initio four-dimensional potential energy surface (PES) for PN–H2 van der Waals system. The PES was obtained using an explicitly correlated coupled cluster approach single, double, and perturbative triple excitations [CCSD(T)-F12b]. method interpolating moving least squares used to construct analytical from these data. equilibrium structure complex found be linear, aligned at N end molecule, intermolecular separation 4.2 Å. corresponding well-depth 224.3 cm?1. dissociation energies were 40.19 cm?1 75.05 complexes ortho-H2 para-H2, respectively. Integral cross sections rotational in calculated new strongly dependent on level molecule. These collisional data will crucial improve estimation abundance medium observational spectra.