Electron Energy Deposition in Molecular Hydrogen : A Simulation Using Molecular Convergent Close Coupling Cross Sections

We report on the development of a Monte-Carlo simulation of electron energy deposition in a gas of molecular hydrogen. The simulation was produced to use a self-consistent data set generated using a single theoretical method, making use of accurate Molecular Convergent Close Coupling (MCCC) cross sections. The work also demonstrates the viability of a new method for modelling excitations to target continuum states as part of energy deposition simulations. The simulation was benchmarked in an ab-initio calculation of the mean energy per ion pair, yielding excellent agreement with experiment and previous theoretical work. Finally, the simulation was used to examine molecular dissociation effects in the energy deposition process, with the new method being used to produce a model fully resolved in both the bound and dissociative vibrational states of the hydrogen molecule.