Fundamental World of Quantum Chemistry: A Tribute to the Memory of Per-Olov Löwdin Volume III

Front Matter....Pages i-xlvi
Per-Olov Löwdin....Pages 1-2
 In Silico Chemistry: Past, Present and Future....Pages 3-21
Weights of Spin and Permutational Symmetry Adapted States for Arbitrary Elementary Spins....Pages 23-41
Schrödinger’s Wave Equation — A Lie Algebra Treatment....Pages 43-65
On Supersymmetric Quantum Mechanics....Pages 67-96
Applications of Löwdin’s Metric Matrix: Atomic Spectral Methods for Electronic Structure Calculations....Pages 97-114
Integrals for Exponentially Correlated Four-Body Systems of General Angular Symmetry....Pages 115-127
Appendix to “Studies in Perturbation Theory”: The Problem of Partitioning....Pages 129-185
Treating Nonadditivity as a Perturbation: A Quasi-Particle Formalism....Pages 187-198
Unified Approach to Intensities in Vibrational Spectroscopies VIA Dynamic Electromagnetic Shieldings at the Nuclei of a Molecule....Pages 199-213
Comparison Between the Many-Body Perturbative and Green’s-Function Approaches for Calculating Electron Binding Energies and Affinities: Brueckner and Dyson Orbitals....Pages 215-245
Quantum Chemistry, Localization, Superconductivity, and Mott-Hubbard U....Pages 247-256
Reformulation of the Concept of Jahn-Teller Vibronic Coupling Effects in Theoretical Chemistry....Pages 257-271
Collisions of Atoms and Molecules in External Magnetic Fields....Pages 273-294
Effects of Orbital Overlap on Calculations of Charge Exchange in Atom-Surface Scattering....Pages 295-321
Relativistic Quantum Chemistry of Heavy and Superheavy Elements: Fully Relativistic Coupled-Cluster Calculations for Molecules of Heavy and Transactinide Superheavy Elements....Pages 323-363
Study of Heavy Elements by Relativistic Fock Space and Intermediate Hamiltonian Coupled Cluster Methods....Pages 365-406
QED Effects in Heavy Elements....Pages 407-421
Time and Time Reversal Symmetry in Quantum Chemical Kinetics....Pages 423-474
Solute-Solvent Interactions from QM SCRF Methods....Pages 475-495
The Cavity Model with a Surface Formed by two Intersecting Spheres. An Analytical Treatment....Pages 497-520
Quantum Mechanical Calculations on Molecules Containing Positrons....Pages 521-545
Low-Lying Ionization Potentials of B 3 N and Photodetachment Energies of B 3 N - Using the Multiconfigurational Spin Tensor Electron Propagator Method....Pages 547-561
Understanding Alkyl Substituent Effects in R-O Bond Dissociation Reactions in Open- and Closed-Shell Systems....Pages 563-579
Hydrogen Bonding and the Energetics of Homolytic Dissociation in Solution....Pages 581-599
Theoretical Calculations of Kinetic Isotope Effects for a Series of Substituted Aziridines....Pages 601-617
Exploring the Catalytic Cycle of the Hydrosilylation of Alkenes Catalyzed by Hydrido-Bridged Diplatinum Complexes Using Electronic Structure Calculation Methods....Pages 619-643
Towards a Physical Explanation of the Periodic Table (PT) of Chemical Elements....Pages 645-669
Back Matter....Pages 671-677