The HCO⁺-H₂ van der Waals interaction: potential energy and scattering.
We compute the rigid-body, four-dimensional interaction potential between HCO(+) and H2. The ab initio energies are obtained at the coupled-cluster single double triple level of theory, corrected for Basis Set Superposition Errors. The ab initio points are fit onto the spherical basis relevant for quantum scattering. We present elastic and rotationally inelastic coupled channels scattering between low lying rotational levels of HCO(+) and para-/ortho-H2. Results are compared with similar earlier computations with He or isotropic para-H2 as the projectile. Computations agree with earlier pressure broadening measurements.
Université Grenoble Alpes, IPAG, F-38000 Grenoble, France and CNRS, IPAG, F-38000 Grenoble, France.
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H
Massó
Université Grenoble Alpes, IPAG, F-38000 Grenoble, France and CNRS, IPAG, F-38000 Grenoble, France.
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L
Wiesenfeld