Vibrational effects on electron-molecule scattering for polyatomics in the first Born approximation: H₂O

Abstract

Polyatomic vibrational effects on electron-molecule scattering have been studied by approximate Hartree-Fock calculations in the first Born approximation on the normal vibrational modes of H₂O in the ground state. The harmonic and anharmonic effects, which are discussed in detail are small, lending credence to the practice of comparing cross sections calculated at a fixed geometry with (averaged) experimental data.