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Hartree-Fock Treatment of Spin-Polarized Crystals

  • Edoardo Aprà
Part of the Lecture Notes in Chemistry book series (LNC, volume 67)

Summary

A brief introduction to the Hartree-Fock method for spin-polarized crystalline systems is presented, together with a description of a few applications.

Key words

Magnetic Systems Hartree-Fock Unrestricted Hartree-Fock (UHF) Open-shell Systems Spin-polarization Ferromagnetism Anti- ferromagnetism 

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Copyright information

© Springer-Verlag Berlin Heidelberg 1996

Authors and Affiliations

  • Edoardo Aprà
    • 1
  1. 1.High Performance Computational Chemistry GroupEnvironmental Molecular Sciences Laboratory, Pacific Northwest LaboratoryRichlandUSA

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