Density Matrices and Density Functionals. - Are Exact Kohn-Sham Potentials Equivalent to Local Functions?. - Theory of Exact Exchange Relations for a Single Excited State. - Correlation Energy Contributions from Low-lying States to Density Functionals in the KLI Approximation. - Orbital Local-scaling Transformation Approach: Fermionic Systems in the Ground State. - Reduced Density-matrix Treatment of Spin-orbit Interaction Terms in Many-electron Systems. - Electron Correlation Treatments. - Many-electron Sturmians Applied to Atoms and Ions in Strong External Fields. - An Implementation of the Configuration-selecting Multi-reference Configuration-interaction Method on Massively Parallel Architectures. - Comments on the Basis Sets used in Recent Studies of Electron Correlation in Small Molecules. - Relativistic Formulations and Effects. - Relativistic Quantum Mechanics of Atoms and Molecules. - Variational Principle in the Dirac Theory: Spurious Solutions Unexpected Extrema and Other Traps. - Relativistic Multireference Many-body Perturbation Theory. - Relativistic Valence Bond Theory and its Application to Metastable XE2. - Relativistic Quantum Chemistry of Superheavy Transactinide Elements. - Valence Theory. - The Nature of Binding in HRgY Compounds (Rg = Ar Kr Xe; Y = F Cl) Based on the Topological Analysis of the Electron Localisation Function (ELF). - Symmetry-separated (?+?) vs Bent-bond (?) Models of First-row Transition-metal Methylene Cations. - Hartree-fock Study of Hydrogen-bonded Systems in the Absence of Basis-set Superposition Error the Nucleic-acid Base Pairs. - Proton Transfer and Non-dynamical Correlation Energy in Model Molecular Systems. - Nuclear Motion. - Large Amplitude Motions in Electronically Excited States: A Study of the S1 Excited State of Formic Acid. -Ab-initio Harmonic Analysis of Large-amplitude Motions in Ethanol Dimers. - Vibrational First Hyperpolarizability of Methane and its Fluorinated Analogs. - Staggering Effects in Nuclear and Molecular Spectra. Language: English