Calculation of ground state rotational populations for kinetic gas homonuclear diatomic molecules including electron-impact excitation and wall collisions

Calculation of ground state rotational populations for kinetic gas homonuclear diatomic molecules including electron-impact excitation and wall collisions.

A model has been developed to calculate the ground state rotational populations of homonuclear diatomic molecules in kinetic gases, including the effects of electron-impact excitation, wall collisions, and gas feed rate. The equations are exact within the accuracy of the cross sections used and of the assumed equilibrating effect of wall collisions. It is found that the inflow of feed gas and e...

Rotational Spectroscopy of Diatomic Molecules

Calculation of rate constants for vibrational and rotational excitation of the H3 ion by electron impact

We present theoretical thermally averaged rate constants for vibrational and rotational (de-)excitation of the H3 ion by electron impact. The constants are calculated using the multichannel quantum-defect approach. The calculation includes processes that involve a change | J | ≤ 2 in the rotational angular momentum J of H3 . The rate constants are calculated for states with J ≤ 5 for rotational...

Electron-impact rotational excitation of water

Rotational excitation of H2O, HDO and D2O by thermal electron impact is studied using the molecular R-matrix method. Rate coefficients are obtained up to electron temperatures of 8000 K. De-excitation rates and critical electron densities are also given. It is shown that the dominant transitions are those for which J = 0, ±1, as predicted by the dipolar Born approximation. However, a pure Born ...

Electron Densities for Homonuclear Diatomic Molecules from the Thomas-Fermi-Dirac Theory