LOW-ENERGY-ELECTRON SCATTERING BY CF4, CCL4, SICL4, SIBR4, AND SII4

Ab initio cross-section calculations of low-energy e - molecule scattering have been limited to molecular targets composed of atoms with few electrons. We use soft norm-conserving pseudopotentials in both the target description and the scattering calculations to study molecules with hundreds of electrons. Comparison with all-electron calculations and crossed-beam experiments for the smallest molecule proves the high quality of the combined pseudopotential-ab initio technique. Our results for all other molecules compared to experimental data indicate that we have a very promising technique. © 1995 The American Physical Society.