Fundamental World of Quantum Chemistry

Chapter 1 Per-Olov Löwdin

Chapter 2 In Silico Chemistry: Past, Present and Future

Chapter 3 Weights of Spin and Permutational Symmetry Adapted States for Arbitrary Elementary Spins

Chapter 4 Schrödinger’s Wave Equation — A Lie Algebra Treatment

Chapter 5 On Supersymmetric Quantum Mechanics

Chapter 6 Applications of Löwdin’s Metric Matrix: Atomic Spectral Methods for Electronic Structure Calculations

Chapter 7 Integrals for Exponentially Correlated Four-Body Systems of General Angular Symmetry

Chapter 8 Appendix to “Studies in Perturbation Theory”: The Problem of Partitioning

Chapter 9 Treating Nonadditivity as a Perturbation: A Quasi-Particle Formalism

Chapter 10 Unified Approach to Intensities in Vibrational Spectroscopies VIA Dynamic Electromagnetic Shieldings at the Nuclei of a Molecule

Chapter 11 Comparison Between the Many-Body Perturbative and Green’s-Function Approaches for Calculating Electron Binding Energies and Affinities: Brueckner and Dyson Orbitals

Chapter 12 Quantum Chemistry, Localization, Superconductivity, and Mott-Hubbard U

Chapter 13 Reformulation of the Concept of Jahn-Teller Vibronic Coupling Effects in Theoretical Chemistry

Chapter 14 Collisions of Atoms and Molecules in External Magnetic Fields

Chapter 15 Effects of Orbital Overlap on Calculations of Charge Exchange in Atom-Surface Scattering

Chapter 16 Relativistic Quantum Chemistry of Heavy and Superheavy Elements: Fully Relativistic Coupled-Cluster Calculations for Molecules of Heavy and Transactinide Superheavy Elements

Chapter 17 Study of Heavy Elements by Relativistic Fock Space and Intermediate Hamiltonian Coupled Cluster Methods

Chapter 18 QED Effects in Heavy Elements

Chapter 19 Time and Time Reversal Symmetry in Quantum Chemical Kinetics

Chapter 20 Solute-Solvent Interactions from QM SCRF Methods

Chapter 21 The Cavity Model with a Surface Formed by two Intersecting Spheres. An Analytical Treatment

Chapter 22 Quantum Mechanical Calculations on Molecules Containing Positrons

Chapter 23 Low-Lying Ionization Potentials of B 3 N and Photodetachment Energies of B 3 N - Using the Multiconfigurational Spin Tensor Electron Propagator Method

Chapter 24 Understanding Alkyl Substituent Effects in R-O Bond Dissociation Reactions in Open- and Closed-Shell Systems

Chapter 25 Hydrogen Bonding and the Energetics of Homolytic Dissociation in Solution

Chapter 26 Theoretical Calculations of Kinetic Isotope Effects for a Series of Substituted Aziridines

Chapter 27 Exploring the Catalytic Cycle of the Hydrosilylation of Alkenes Catalyzed by Hydrido-Bridged Diplatinum Complexes Using Electronic Structure Calculation Methods

Chapter 28 Towards a Physical Explanation of the Periodic Table (PT) of Chemical Elements