Opis
Quantum Science Methods and Structure
Per-Olov Löwdin Conqueror of Scientific Educational and Rocky Mountains. - Publications of Per-Olov Löwdin 19391976. - Per-Olov Löwdin in the Scientific Literature 19651974. - 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 = (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 InversionSymmetry 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. Language: English
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Identyfikator Fruugo:
450893842-950604638
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ISBN:
9781475716610
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