Rotational excitation of asymmetric-top molecular ions by electron impact: application to H2O+, HDO+, and D2O+
Abstract
The rotational excitation of the three asymmetric-top molecular ion isotopologues H2O+, HDO+, and D2O+ is studied theoretically using a combined framework of electron-molecule R-matrix scattering theory, multichannel quantum-defect theory, frame transformation theory, and the Coulomb-Born approximation. The latter two have been adapted here for asymmetric-top rotors. State-resolved cross sections and kinetic rate coefficients for transitions from the rotational ground state of the ions are presented. State-resolved rate coefficients for all calculated transitions N=0…two4 are included as supplementary material and will be made available through the EMAA database.
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