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Magnetic Functions Beyond the Spin-Hamiltonian

  • Magnetic Parameters and Magnetic Functions in Mononuclear Complexes Beyond the Spin-Hamiltonian Formalism
    • Introduction
      • Motivation
      • Magnetic Parameters
      • Magnetic Functions
    • Energy Levels of Multiterm Systems
      • Paths for Evaluating Energy Levels
      • Matrix Elements
      • Zeeman Levels
    • Modeling the Magnetic Parameters
      • Computer-Aided Calculations of Spin-Hamiltonian Parameters
      • Partitioning Technique
      • Manual Calculations of Spin Hamiltonian Parameters
      • Magnetochemical Formulae
    • Calculations of Energy Levels and Magnetic Parameters
    • Empirical Magnetic Parameters
      • Jahn–Teller Effect
      • Jahn–Teller Effect in Crystal-Field Model
      • Principal Magnetic Parameters
      • Orbital Reduction Factor
    • Conclusions
    • Appendix
      • A – Spectroscopic Constants, Coefficients, and Matrix Elements
      • B – IrreducibleTensors and Tensor Operators
      • C – Classification of Crystal-Field Terms and Multiplets
      • D – Calculated Energy Levels and Magnetic Parameters