Ma. Monison et al., ULTRASIMPLE CALCULATION OF VERY-LOW-ENERGY MOMENTUM-TRANSFER AND ROTATIONAL-EXCITATION CROSS-SECTIONS - E-N-2 SCATTERING, Physical review. A, 55(4), 1997, pp. 2786-2798
The calculation of electron-molecule cross sections at scattering ener
gies well below 0.1 eV using conventional algorithms for solving the S
chrodinger equation is often rendered problematic by severe numerical
problems. Here we describe and implement an alternative procedure that
combines known analytic properties of the body-frame electron-molecul
e scattering matrix, as codified in the modified effective range theor
y, with an analytic correction that imposes physically correct thresho
ld laws. This approach eliminates completely the need for numerically
solving the Schrodinger equation at energies below about 0.1 eV. Inste
ad, one uses scattering matrices above this energy to determine parame
ters for an extrapolation to subthermal energies. We apply this method
to the calculation of e-N-2 momentum-transfer and rotational excitati
on cross sections from threshold to 1.25 eV. The results resolve a lon
g-standing apparent anomaly in the analysis of experimental data for v
ery low-energy electron scattering from N-2. Finally, we use linear re
gression to present our theoretical results in a user-friendly form.