Isotopic and vibrational-level dependence of H$_2$ dissociation by electron impact

TL;DR

This paper investigates the discrepancies in theoretical calculations of electron-impact dissociation cross sections for vibrationally-excited and isotopically-substituted H$_2$, highlighting implications for plasma modeling and understanding isotope and vibrational effects.

Contribution

It identifies the sources of disagreement between different theoretical models for dissociation cross sections of various hydrogen isotopologues and vibrational states.

Findings

Large discrepancies between MCCC and R-matrix calculations for vibrationally-excited H$_2$ and isotopologues.

Disagreement in isotope effects and vibrational dependence of dissociation cross sections.

Implications for plasma models using previous recommended data.

Abstract

The low-energy electron-impact dissociation of molecular hydrogen has been a source of disagreement between various calculations and measurements for decades. Excitation of the ground state of H$_2$ into the dissociative $b ^3\Sigma_u^+$ state is now well understood, with the most recent measurements being in excellent agreement with the molecular convergent close-coupling (MCCC) calculations of both integral and differential cross sections (2018 Phys. Rev. A 98 062704). However, in the absence of similar measurements for vibrationally-excited or isotopically-substituted H$_2$, cross sections for dissociation of these species must be determined by theory alone. We have identified large discrepancies between MCCC calculations and the recommended $R$-matrix cross sections for dissociation of vibrationally-excited H$_2$, D$_2$, T$_2$, HD, HT, and DT (2002 Plasma Phys. Contr. F. 44 1263-1276,2217-2230), with disagreement in both the isotope effect and dependence on initial vibrational level. Here we investigate the source of the discrepancies, and discuss the consequences for plasma models which have incorporated the previously recommended data.