THE ELASTIC-SCATTERING OF ELECTRONS FROM CO2 MOLECULES .1. CLOSE-COUPLING CALCULATIONS OF INTEGRAL AND DIFFERENTIAL CROSS-SECTIONS

Elastic cross sections, integral and differential, are calculated for CO2 using a new set of codes which employ the separable representation of exchange interaction and the density functional (DFT) description of correlation forces. The entire problem is treated within a close-co upling (CC) formulation of the quantum scattering equations given in a single-centre-expansion (SCE) representation. Comparison with experim ental data, over a rather broad range of collision energies from 0.1 e V up to 100 eV, provides one of the best overall agreements with exper imental-findings found thus far by calculations. The effect of correla tion forces is discussed in comparison with the exact static-exchange (ESE) results provided by the present approach and by earlier calculat ions.