The collisional excitation of CS by H2O for cometary applications - Potential energy surface, rate coefficients, and non-local thermodynamic equilibrium modeling

Open Access

Fig. 1

Comparison of the CS–H₂O SAPT(DFT) and aVQZ PES fit (solid black line) with the CCSD(T)-F12 and aVTZ+BF calculations performed for selected radial cuts. The θ₁ and ϕ₁ are spherical angles of the R vector, while θ₂ and ϕ₂ are spherical angles describing the orientation of the CS molecule.

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