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Electron Paramagnetic Resonance, Optimization and Automatic Differentiation

  • Edgar J. Soulié
  • Christèle Faure
  • Théo Berclaz
  • Michel Geoffroy
Chapter

Abstract

This chapter describes an optimization problem applied to electron paramagnetic resonance spectroscopy. Levenberg-Marquardt fails to converge using a divided differences Jacobian approximation in single precision, while it succeeds using Odyssée-generated forward mode Jacobian values. In double precision, the optimizer returns a smaller “minimum” objective function with AD compared to DD in 46% more CPU time.

Keywords

Electron Paramagnetic Resonance Electron Paramagnetic Resonance Spectrum Jacobian Matrix Hyperfine Interaction Double Precision 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© Springer Science+Business Media New York 2002

Authors and Affiliations

  • Edgar J. Soulié
  • Christèle Faure
  • Théo Berclaz
  • Michel Geoffroy

There are no affiliations available

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