Fa. Gianturco et P. Paioletti, ELASTIC COLLISIONS AND ROTATIONAL-EXCITATION IN POSITRON SCATTERING FROM CO2 MOLECULES, Physical review. A, 55(5), 1997, pp. 3491-3503
Full quantum calculations are carried out for the elastic (rotationall
y summed) integral and differential cross sections in low-energy colli
sions of positrons with rigid rotor CO2 molecules. The interaction inc
ludes an expansion of the exact Coulomb potential on a single-center (
SCE) and a parameter-free correlation-polarization (V-CP) potential gi
ven in local form via density-functional theory (DFT) with gradient co
rrections. State-to-state rotationally inelastic cross sections (integ
ral and differential) are also presented and their behavior is discuss
ed in relation to what is known from similar experiments with electron
s as projectiles. The agreement found between computed and measured el
astic integral cross sections is rather good and confirms the realisti
c quality of a DFT treatment for short-range dynamical correlation eff
ects.