Radial multipolar expansion coefficients for H+ + CO system as a function of R at r = r eq with (a) the lower coefficients in attractive region, (b) the higher coefficients in the repulsive region, (c) V 0 and V 1 coefficients from the original MS PES, and the PES with the fitted long-range components.
Computed state-to-state integral cross sections for rotational excitations as a function of E cm for (a) 0–200 cm−1 and (b) 0–800 cm−1.
Computed state-to-state rate as a function of temperature for (a) 0–175 K and (b) 0–1170 K.
Computed opacities for state-to-state inelastic cross sections as a function of angular momentum for the CC and CS calculations.
Computed inelastic state-to-state integral cross sections as a function of the final rotational state j ′ for the CC, CS, and IOS calculations.
Computed state-to-state integral cross sections values as a function of collision energy using (a) the CC method and (b) the CS method.
Radial multipolar expansion coefficients for v = 1 state as a function of R with (a) the lower coefficients in attractive region and (b) the higher coefficients in the repulsive region.
Comparison of the computed close-coupling integral cross sections for v = 0 and vibrationally averaged potential (v = 1) into all allowed values of j ′ at E cm = 0.1 eV.
Values of dipole moment μ, quadrupole moment Q, dipole polarizability components α0 and α2 (in a.u.) computed at r eq = 2.138 a o in various levels of theory along with the experimental values.
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