Chapter 5. Fundamentals of Nonrelativistic and Relativistic Theory of NMR and EPR Parameters

  1. Prof. Dr. Martin Kaupp2,
  2. Dr. Michael Bühl Priv. Doz.3 and
  3. Dr. Vladimir G. Malkin DrSc.4
  1. Werner Kutzelnigg

Published Online: 9 JUN 2004

DOI: 10.1002/3527601678.ch5

Calculation of NMR and EPR Parameters: Theory and Applications

Calculation of NMR and EPR Parameters: Theory and Applications

How to Cite

Kutzelnigg, W. (2004) Fundamentals of Nonrelativistic and Relativistic Theory of NMR and EPR Parameters, in Calculation of NMR and EPR Parameters: Theory and Applications (eds M. Kaupp, M. Bühl and V. G. Malkin), Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, FRG. doi: 10.1002/3527601678.ch5

Editor Information

  1. 2

    Institute of Inorganic Chemistry, University of Würzburg, Am Hubland, 97074 Würzburg, Germany

  2. 3

    Max-Planck-Institute for Coal Research, Kaiser-Wilhelm-Platz 1, 45470 Mülheim an der Ruhr, Germany

  3. 4

    Institute of Inorganic Chemistry, Slovak Academy of Sciences, Dubravska cesta 9, SK-84536 Bratislava, Slovak Republic

Author Information

  1. Department of Theoretical Chemistry, Ruhr-University Bochum, 44780 Bochum, Germany

Publication History

  1. Published Online: 9 JUN 2004
  2. Published Print: 25 MAY 2004

ISBN Information

Print ISBN: 9783527307791

Online ISBN: 9783527601677

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Keywords:

  • NMR and EPR parameters;
  • nonrelativistic and relativistic theory;
  • classical theory;
  • quantum mechanical Hamiltonians;
  • perturbation theory;
  • leading relativistic corrections

Summary

This chapter contains sections titled:

  • Introduction

  • Classical Theory of the Interaction of a Charged Particle with an Electromagnetic Field

  • Quantum Mechanical Hamiltonians in a Time-Independent Electromagnetic Field

  • Perturbation Theory of Magnetic Effects

  • Non-Relativistic Theory of EPR and NMR Parameters

  • Relativistic Theory of Magnetic Properties

  • The Leading Relativistic Corrections

  • Concluding Remarks