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The results of a newly developed version of the Molecular Convergent Close-Coupling (MCCC) method [1,2] of calculating cross sections for electron scattering on the H$_3^+$ molecule are reported. Integrated cross sections for dissociative electronic excitation and ionisation are presented, yielding good agreement with the experiment [3,4]. The causes of previous disagreements between theory and experiment are identified. The method is presented in both the fixed-nuclei and adiabatic nuclei formulations, with optional point-group symmetry adaptation. The results of the first-ever calculation of fragment kinetic energy release distributions in electron impact dissociation of H$_3^+$ are also reported, yielding good agreement with the strong textexperiment at high energies. The new method opens the door to the modelling of electron and positron scattering on polyatomic molecules using CCC techniques.
Fig 1: Comparison of the total dissociative excitation cross section for electron scattering on H$_3^+$ and D$_3^+$ in several MCCC models [1,2] with the experiments of Lecointre et al [3], Jensen et al [4], the R-matrix calculation of Gorfinkiel and Tennyson [5] and the complex-Kohn calculation of Orel [6].
[ 1] Horton et al, Phys. Rev. Lett. 134, 063001 (2025).
[2] Horton et al, Phys. Rev. A. 111, 022802 (2025).
[3] Lecointre et al, J. Phys. B. 42, 075201 (2009).
[4] Jensen et al, Phys. Rev. A. 63, 052701 (2001).
[5] Gorfinkiel and Tennyson, J. Phys. B 38, 1607 (2005).
[6] Orel, Phys. Rev. A. 46, 1333 (1992).
