2004

Fundamental World of Quantum Chemistry

A Tribute to the Memory of Per-Olov Löwdin Volume III

Editors:

ISBN: 978-90-481-6687-9 (Print) 978-94-017-0448-9 (Online)

Table of contents (28 chapters)

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  1. Front Matter

    Pages i-xlvi

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    Book Chapter

    Pages 1-2

    Per-Olov Löwdin

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    Book Chapter

    Pages 3-21

    In Silico Chemistry: Past, Present and Future

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    Book Chapter

    Pages 23-41

    Weights of Spin and Permutational Symmetry Adapted States for Arbitrary Elementary Spins

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    Book Chapter

    Pages 43-65

    Schrödinger’s Wave Equation — A Lie Algebra Treatment

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    Book Chapter

    Pages 67-96

    On Supersymmetric Quantum Mechanics

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    Book Chapter

    Pages 97-114

    Applications of Löwdin’s Metric Matrix: Atomic Spectral Methods for Electronic Structure Calculations

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    Book Chapter

    Pages 115-127

    Integrals for Exponentially Correlated Four-Body Systems of General Angular Symmetry

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    Book Chapter

    Pages 129-185

    Appendix to “Studies in Perturbation Theory”: The Problem of Partitioning

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    Book Chapter

    Pages 187-198

    Treating Nonadditivity as a Perturbation: A Quasi-Particle Formalism

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    Book Chapter

    Pages 199-213

    Unified Approach to Intensities in Vibrational Spectroscopies VIA Dynamic Electromagnetic Shieldings at the Nuclei of a Molecule

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    Book Chapter

    Pages 215-245

    Comparison Between the Many-Body Perturbative and Green’s-Function Approaches for Calculating Electron Binding Energies and Affinities: Brueckner and Dyson Orbitals

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    Book Chapter

    Pages 247-256

    Quantum Chemistry, Localization, Superconductivity, and Mott-Hubbard U

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    Book Chapter

    Pages 257-271

    Reformulation of the Concept of Jahn-Teller Vibronic Coupling Effects in Theoretical Chemistry

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    Book Chapter

    Pages 273-294

    Collisions of Atoms and Molecules in External Magnetic Fields

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    Book Chapter

    Pages 295-321

    Effects of Orbital Overlap on Calculations of Charge Exchange in Atom-Surface Scattering

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    Book Chapter

    Pages 323-363

    Relativistic Quantum Chemistry of Heavy and Superheavy Elements: Fully Relativistic Coupled-Cluster Calculations for Molecules of Heavy and Transactinide Superheavy Elements

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    Book Chapter

    Pages 365-406

    Study of Heavy Elements by Relativistic Fock Space and Intermediate Hamiltonian Coupled Cluster Methods

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    Book Chapter

    Pages 407-421

    QED Effects in Heavy Elements

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    Book Chapter

    Pages 423-474

    Time and Time Reversal Symmetry in Quantum Chemical Kinetics

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    Book Chapter

    Pages 475-495

    Solute-Solvent Interactions from QM SCRF Methods

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