Showing papers on "Schwinger variational principle published in 2011"

Low-Energy Electron Scattering from Molecules, Biomolecules and Surfaces

Abstract: Electron scattering as a useful tool for research in physics, chemistry and biology: overview and introductory remarks Physics of low-energy electron-molecule collisions Organization of the book Introduction to numerical methods Single-center expansion Static-exchange approximation Correlation-polarization potentials R-matrix approach Schwinger variational principle Kohn variational principle Complex rotation Multiple scattering methods Measurement of absolute cross sections of electron scattering by isolated molecules Introduction Experimental methods Nitrogen Carbon monoxide Hydrogen halides Methyl halides CH3I Vibrational Feshbach resonances without a permanent dipole Vibrational Feshbach resonances as doorway states to DEA pi* shape resonances as a doorway states to DEA OH and SH containing molecules Other polyatomic molecules Summary and Conclusions Appendix: Abbreviations Nonlocal theory of resonance electron-molecule scattering Introduction Nonlocal resonance theory Detailed treatment of angular momentum for diatomic molecules Numerical treatment of the nuclear dynamics equations Applications of the nonlocal resonance theory to diatomic molecules Introduction Overview of the nonlocal resonance models for diatomic molecules Structures in the cross sections and their interpretation Temperature dependence of the cross sections and rate constants Appendix: details of nonlocal resonance models for diatomic molecules Theoretical studies of electron interactions with DNA and its subunits: from tetrahydrofuran to plasmid DNA Introduction Molecular units Large DNA molecular structures Appendix: Abbreviations Low-energy electron scattering at surfaces Introduction Electron scattering Vibrational pattern analysis through energy loss spectra Quasi-elastic electron reflectivity - Global probe of the density-of-states above vacuum level Vibrational excitation functions (VEF) - Vibrational modes characterization Conclusion Vibrational excitations of polyatomic molecules Introduction Basic theory Discrete momentum representation method Numerical quadrature Evaluation of Coulomb integrals Evaluation of exchange integrals Polarization effects Computational details Application to polyatomic molecules