A fixed-nuclei, ab initio treatment of low-energy electron-H2O scattering

摘要: We report the results of a theoretical study low-energy electron-H2O scattering. The calculations employ complex Kohn variational technique and are undertaken at both static-exchange polarized-SCF levels. Target polarization effects included by using an ab initio optical potential. Particular attention is paid to complications attending electron scattering from target molecules that possess permanent dipole moment. describe steps necessary extract meaningful differential cross sections fixed-nuclei ignore rotational motion target. Comparison made with experiment as well other recent treatments.