Fundamental World of Quantum Chemistry (eBook, PDF)

A Tribute to the Memory of Per-Olov Löwdin Volume III
Redaktion: Brändas, Erkki J.; Kryachko, Eugene S.

• Format: PDF

Produktbeschreibung

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.

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Produktdetails

• Verlag: Springer Netherlands
• Seitenzahl: 677
• Erscheinungstermin: 9. März 2013
• Englisch
• ISBN-13: 9789401704489
• Artikelnr.: 44046630

Inhaltsangabe

Per-Olov Löwdin.- In SilicoChemistry: Past, Present and Future.- 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.- QuantumMechanical 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.

Rezensionen

Löwdin (1916-2000) was one of a special group of legendary figures of the past century who made immeasurable contributions to the discipline of quantum chemistry through his seminal publications on a remarkable diversity of topics.

He established the Uppsala Quantum Chemistry Group in 1955 and the Quantum Theory Project at the University of Florida in 1960. Under Löwdin's leadership, the Uppsala and Gainesville groups rose quickly to rank among the three or four most influential theoretical groups in the world.

Volume III is a worthy companion to the earlier volumes. The 28 contributions cover a broad range of topics, most of which make a direct connection with Löwdin's scientific contributions.

This volume, like the earlier two, provides a unique anecdotal record of the development of quantum chemistry and insight about one of its most engaging advocates. It is also a testament to the breadth and current status of the discipline, and a harbinger of some important problems that await the attention of future generations of researchers.

For example, at the WATOC Congress in Toronto in 1990, Löwdin declared that "One of the most urgent problems of modern quantum chemistry is to treat the motions of the atomic nuclei and the electrons on a more or less equivalent basis.

Russell J. Boyd, Dalhousie University. In: 14526 J. AM. CHEM. SOC. Vol. 127, No. 41, 2005