Description
Book SynopsisScientific achievement cannot be subjected to the very refined measurement techniques of science itself, but there is a continuous mutual evaluation among scientists which manifests itself through refereeing, literature citation and dedicatory volumes like the present one.
Table of ContentsPer-Olov Löwdin — Conqueror of Scientific, Educational and Rocky Mountains.- Publications of Per-Olov Löwdin 1939–1976.- Per-Olov Löwdin in the Scientific Literature 1965–1974.- Acta Vålådalensia Revisited: Per-Olov Löwdin in Scientific Discussion.- The Non-Orthogonality Problem and Orthogonalization Procedures.- Biorthonormal Bases in Hilbert Space.- Energy Weighted Maximum Overlap (EWMO).- The Calculation of the Exchange Parameter J = ½ (Esinglet-Etriplet) for Two Equivalent Electrons using Canonical Molecular orbitals.- Importance of Overlap in the Analysis of Weak Exchange Interactions by Perturbation Methods.- Inelastic Scattering of Photons from Ionic Crystals and Effects of Overlap.- Some Comments on the Quantum-Mechanical Treatment of Defects in Ionic Crystals.- Properties of Compressed Atoms from a Spherical Cellular Model.- Static and Dynamic Correlations in Many-Electron Systems.- Power Series Method for Cellular Calculations on Atoms, Molecules and Solids.- Test of Conventional Quantum Chemistry Methods on the Hydrogen Atom.- Numerical Aspects of Weyl’s Theory.- Quantization and a Green’s Function for Systems of Linear Ordinary Differential Equations.- On Resonant Potential Scattering.- Laguerre Polynomials, Reminiscences from Uppsala.- Partitioning Technique for Determinantal Equations.- Lower Bounds to Energy Eigenvalues.- Bounds to the Sum-rule Function from Inner-Projections.- Investigations into the Properties of Projected Spin Functions.- Many-Body Theory of Molecular Collisions.- On the Löwdin Bracketing Function.- Numerical Infinite-Order Perturbation Theory.- Calculation of the Bromine Nuclear Pseudoquadrupole Coupling Constant in the LiBr Molecule Using a Density-of-States Function Deduced from Overlap Integrals.- On Inversion Symmetry in Momentum Space.- Bonding Character of Inner-Shell Orbitals in Diatomic Molecules.- A New Formulation of the Correlation Problem.- The Chemical Bond as a Many-Electron Problem.- Orbital Methods and Correlation Errors in Expectation Values.- Long-range Interaction in some Two-Electron Systems.- The Generator Coordinate Method Illustrated on the Hydrogen Molecule.- Projected Hartree-Fock Calculations on the Ground and First Excited 1?g+ States of the Hydrogen Molecule.- Deformed Atoms and the Projected Hartree-Fock Method.- MCSCF Studies of Chemical Reactions: Natural Reaction Orbitals and Localized Reaction Orbitals.- The Phosphate Group in Quantum Biochemistry.- Towards the Theoretical Determination of the Conformation of Biological Macromolecules.- Energetics and Mechanism of 2-Aminopurine Induced Mutations.- External Electrical Field and Proton Transfer.- Proton Tunnelling in DNA Base Pairs and Mutagenesis.- On Proton Mobilities in Individual Hydrogen Bonds.
