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Fundamental World of Quantum Chemistry

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Cover of 'Fundamental World of Quantum Chemistry'

Table of Contents

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    Book Overview
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    Chapter 1 Per-Olov Löwdin
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    Chapter 2 In Silico Chemistry: Past, Present and Future
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    Chapter 3 Weights of Spin and Permutational Symmetry Adapted States for Arbitrary Elementary Spins
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    Chapter 4 Schrödinger’s Wave Equation — A Lie Algebra Treatment
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    Chapter 5 On Supersymmetric Quantum Mechanics
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    Chapter 6 Applications of Löwdin’s Metric Matrix: Atomic Spectral Methods for Electronic Structure Calculations
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    Chapter 7 Integrals for Exponentially Correlated Four-Body Systems of General Angular Symmetry
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    Chapter 8 Appendix to “Studies in Perturbation Theory”: The Problem of Partitioning
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    Chapter 9 Treating Nonadditivity as a Perturbation: A Quasi-Particle Formalism
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    Chapter 10 Unified Approach to Intensities in Vibrational Spectroscopies VIA Dynamic Electromagnetic Shieldings at the Nuclei of a Molecule
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    Chapter 11 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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    Chapter 12 Quantum Chemistry, Localization, Superconductivity, and Mott-Hubbard U
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    Chapter 13 Reformulation of the Concept of Jahn-Teller Vibronic Coupling Effects in Theoretical Chemistry
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    Chapter 14 Collisions of Atoms and Molecules in External Magnetic Fields
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    Chapter 15 Effects of Orbital Overlap on Calculations of Charge Exchange in Atom-Surface Scattering
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    Chapter 16 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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    Chapter 17 Study of Heavy Elements by Relativistic Fock Space and Intermediate Hamiltonian Coupled Cluster Methods
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    Chapter 18 QED Effects in Heavy Elements
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    Chapter 19 Time and Time Reversal Symmetry in Quantum Chemical Kinetics
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    Chapter 20 Solute-Solvent Interactions from QM SCRF Methods
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    Chapter 21 The Cavity Model with a Surface Formed by two Intersecting Spheres. An Analytical Treatment
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    Chapter 22 Quantum Mechanical Calculations on Molecules Containing Positrons
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    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
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    Chapter 24 Understanding Alkyl Substituent Effects in R-O Bond Dissociation Reactions in Open- and Closed-Shell Systems
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    Chapter 25 Hydrogen Bonding and the Energetics of Homolytic Dissociation in Solution
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    Chapter 26 Theoretical Calculations of Kinetic Isotope Effects for a Series of Substituted Aziridines
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    Chapter 27 Exploring the Catalytic Cycle of the Hydrosilylation of Alkenes Catalyzed by Hydrido-Bridged Diplatinum Complexes Using Electronic Structure Calculation Methods
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    Chapter 28 Towards a Physical Explanation of the Periodic Table (PT) of Chemical Elements
Attention for 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
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Chapter title
Low-Lying Ionization Potentials of B 3 N and Photodetachment Energies of B 3 N - Using the Multiconfigurational Spin Tensor Electron Propagator Method
Chapter number 23
Book title
Fundamental World of Quantum Chemistry
Published by
Springer, Dordrecht, January 2004
DOI 10.1007/978-94-017-0448-9_23
Book ISBNs
978-9-04-816687-9, 978-9-40-170448-9
Authors

S. Mahalakshmi, Danny L. Yeager, Mahalakshmi, S., Yeager, Danny L.

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