Fundamental World of Quantum Chemistry : a Tribute to the Memory of Per-Olov Löwdin Volume III
Per-Olov Löwdin's stature has been a symbol of the world of quantum theory during the past five decades, through his basic contributions to the development of the conceptual framework of Quantum Chemistry and introduction of the fundamental concepts; through a staggering number of regular summer schools, winter institutes, innumerable lectures at Uppsala, Gainesville and elsewhere, and Sanibel Symposia; by founding the International Journal of Quantum Chemistry and Advances in Quantum Chemistry; and through his vision of the possible and his optimism for the future, which has inspired generations of physicists, chemists, mathematicians, and biologists to devote their lives to molecular electronic theory and dynamics, solid state, and quantum biology. Fundamental World of Quantum Chemistry: Volumes I, II and III form a collection of papers dedicated to the memory of Per-Olov Löwdin. These volumes are of interest to a broad audience of quantum, theoretical, physical, biological, and computational chemists; atomic, molecular, and condensed matter physicists; biophysicists; mathematicians working in many-body theory; and historians and philosophers of natural science. The volumes will be accessible to all levels, from students, PhD students, and postdocs to their supervisors
1 online resource (xlvi, 677 pages)
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Print version:
In SilicoChemistry: Past, Present and Future
Introduction
Weights of Spin and Permutational Symmetry Adapted States for Arbitrary Elementary Spins
Schrödinger's Wave Equation
A Lie Algebra Treatment
On Supersymmetric Quantum Mechanics.-Application Of Löwdin's Metric Matrix: Atomic Spectral Methods for Electronic Structure Calculations
Integrals for Exponentially Correlated Four-Body Systems of General Angular Symmetry
Appendix to "Studies in Perturbation Theory": The Problem of Partitioning
Treating Nonadditivity as a Perturbation: a Quasi-Particle Formalism
Unified Approach to Intensities in Vibrational Spectroscopies via Dynamic Electromagnetic Shieldings at the Nuclei of a Molecule
Comparison Between the Many-Body Perturbative and Green's-Function Approaches for Calculating Electron Binding Energies and Affinities: Brueckner and Dyson Orbitals
Quantum Chemistry, Localization, Superconductivity, and Mott-Hubbard U
Reformulation of the Concept of Jahn-Teller Vibronic Coupling Effects in Theoretical Chemistry
Collisions of Atoms and Molecules in External Magnetic Fields
Effects of Orbital Overlap on Calculations of Charge Exchange in Atom-Surface Scattering
Relativistic Quantum Chemistry of Heavy and Superheavy Elements: Fully Relativistic Coupled-Cluster Calculations for Molecules of Heavy and Transactinide Superheavy Elements
Study of Heavy Elements by Relativistic Fock Space and Intermediate Hamiltonian Coupled Cluster Methods
QED Effects in Heavy Elements
Time and Time Reversal Symmetry in Quantum Chemical Kinetics
Solute-Solvent Ineractions from QM SCRF Methods Analysis of Group Contributions to Solvation
The Cavity Model with a Surface Formed by Two Intersecting Spheres
An Analytical Treatment
Quantum Mechanical Calculations on Molecules Containing Positrons
Low-Lying Ionization Potentials of B3N and Photodetachment Energies of B3N- Using The Multiconfigurational Spin Tensor Electron Propagator Method
Understanding Alkyl Substituent Effects in R-O Bond Dissociation Reactions in Open- and Closed-Shell Systems
Hydrogen Bonding and The Energetics of Homolytic Dissociation in Solution
Theoretical Calculations of Kinetic Isotope Effects for A Series of Substituted Aziridines
Exploring The Catalytic Cycle of the Hydrosylilation of Alkenes Catalyzed by Hydrido-Bridged Diplatinum Complexes Using Electronic Structure Calculation Methods
Towards A Physical Explanation of The Periodic Table (PT) of Chemical Elements
Index
English