Theoretical Foundations of Electron Spin Resonance

PrefaceAcknowledgmentsChapter 0. Review of Elementary Electron Spin Resonance Systems Studied by Electron Spin Resonance The Basic Electron Spin Resonance Experiment Relaxation and Lineshape The Spin Hamiltonian The Electronic Zeeman Interaction Magnetic Hyperfine Interactions Equivalent Nuclei and Intensity Patterns Other InteractionsChapter I. The Origin of Magnetic Energy Levels 1. The Dirac Electron Origin of the Dirac Equation Some Properties of the Dirac Equation and Dirac Operators Solutions of the Dirac Equation Perturbations of the Dirac Hydrogen Atom Other Calculations with Four-Component Functions Summary of Section 1 2. The Relationship between Relativistic and Nonrelativistic Theories Characteristics of and Criteria for Transformations The Foldy-Wouthuysen Transformation Foldy-Wouthuysen Transformation with Electric Fields Present Partitioning of the Dirac Equation Discussion of Terms Occurring in the Hamiltonian Hydrogenic Ion Results Summary of Section 2 3. Radiative Corrections Quantum Electrodynamics Anomalous Magnetic Moment Modification of the Dirac Equation Reduction to Nonrelativistic Form Summary of Section 3 4. Relativistic Many-Electron Theories The Bethe-Salpeter Equation The Breit Equation Reduction to Nonrelativistic Form Other Methods Discussion of Results Extension to Many Electrons Summary of Section 4 5. Effects of Nuclear Structure Nuclear Size Nuclear Moments Summary of Section 5 6. The Separation of Nuclear and Electronic Motions Center of Mass in Relativistic Quantum Mechanics Nonrelativistic, One-Electron Atoms Effect on Relativistic Corrections for One-Electron Atoms Other Systems Summary of Section 6Chapter II. The Description of Magnetic Energy Levels 7. The Spin Hamiltonian as a Summary of Experimental Data Isotropic Spin Hamiltonian for S = ¿ Nearly Degenerate Electronic States Nonisotropic Spin Hamiltonians Powder Spectra Summary of Section 7 8. The Relationship of the Spin Hamiltonian to Calculated Energy Levels Partitioning Treatment Spin Hamiltonian States with Additional Degeneracies Summary of Section 8 9. Perturbation Expressions for Spin Hamiltonian Parameters Form of the Spin Hamiltonian Spin Hamiltonian Parameters Orientation Dependence of Spin Hamiltonian Parameters Summary of Section 9 10. Summarizing Calculated Data in Terms of Density Matrix Components Spin Components of Reduced Density Matrices Relationship to Spin Hamiltonian Parameters Summary of Section 10Chapter III. Calculations 11. Wave Functions for Open-Shell Systems Spin Couplings and Antisymmetry Spin Eigenfunctions The Interaction of Space and Spin via Permutational Symmetry Comparison of Functions of Different Types Other Methods of Calculation An Example: Lithium Atom Summary of Section 11 12. Evaluation of Spin Hamiltonian Parameters Operators Involved Basis Functions Integrals Summary of Section 12 13. Semiempirical Methods Atomic Orbital Spin Density All-Valence-Electron Semiempirical Methods Pi-Electron Methods Simple Valence Bond Treatments Summary of Section 13 14.