Chemical Modelling

Prof. Dr. Michael Springborg heads up of the three groups in Physical Chemistry at the University of Saarland where the main activities concentrate on teaching and research. The major part of Prof. Dr. Michael Springborg's research concentrates on the development and application of theoretical methods, including accompanying computer programs, for the determination of materials properties. Quantum theory forms the theoretical foundation for most of our work. The materials of the group's interest range from atoms, via clusters and polymers, to solids. They study their structural, electronic, energetic, and opitcal properties.

• Front matter;Contents;Editorial announcement;Preface;Polarizabilities and hyperpolarizabilitiesIn memoriam of David M. Bishop.;Spin-polarized reactivity indices from density functional theory: theory and applications;QSAR–old and new directions;Excitations;Wavefunction-based ab initio correlation method for metals: application of the incremental scheme to Be, Mg, Zn, Cd, and Hg;A new methodology for the development of numerical methods for the numerical solution of the Schr÷dinger equation;Nanostructures;