Polarisation potentials for positron-molecule collisions: positron-H, scattering
Model polarisation potentials for use in calculating positron-molecule cross sections are often based on approximations in which terms that depend on the sign of the charge of the projectile are neglected. Thus, these potentials do not fully distinguish between electron and positron scattering. The validity of using such potentials for positron- H2 collisions is investigated by performing scattering calculations using electron- and positron-H, model polarisation potentials. Results show that, because of differences in the way electrons and positrons distort the target charge cloud, sign-dependent terms in the adiabatic potential can significantly influence the total cross section. Low-energy cross sections are also shown to be rather sensitive to how non-adiabatic polarisation effects are taken into account. Using a cut-off fully adiabatic positron-H, polarisation potential, theoretical total cross sections in reasonably good agreement with recent measurements are obtained.
The theory of electron-molecule collisions
The current state of the theory and its application to low-energy electron--molecule collisions is reviewed. The emphasis is on elastic scattering and vibrational and rotational excitation of small diatomic and polyatomic molecules. New and traditional theoretical approaches are described, and the results of calculations are compared with existing experimental measurements.
Ab Initio calculation of the vibrational and electronic properties of carbon dioxide
An ab initio LCAO‐MO‐SCF calculation is carried out on CO2 in order to obtain the vibrational spectrum, intensities, and electronic properties of the molecule. The results are presented and discussed, and comparisons are made with experiment where possible.