Our High Energy Extension model for Quantemol-N software is based on Static Exchange model (SE) for 20-50 eV energy range and Spherically Complex Optical Potential (SCOP) method for energies 50-10000 eV. Quantemol-N now combines low energy electron solution obtained from R-matrix (up to 20 eV) with high energy solution from SE and SCOP to provide users with a full range of energies.
Our team has run a set of tests to compare the experimental data:
For SiH4
CH4
N2
HCN
Jain, Ashok “Spherical‐complex‐optical‐potential (SCOP) model for electron–monosilane (SiH4) collisions at 30–400 eV: Total (elastic+absorption), momentum transfer, and differential cross sections” The Journal of Chemical Physics 86, 1289 (1987);
Jain, Ashok and Baluja, K. L. “Total (elastic plus inelastic) cross sections for electron scattering from diatomic and polyatomic molecules at 10—5000 eV: H2, Liz, HF, CH4, N2, CO, C2H2, HCN, Oz, HC1, H2S, PH3, SiH4, and Coz” Phys Review A Volume 45, No 1, pp.202-217 (1991)