Chapter 7

Self-Consistent-Field Calculations and Model Hamiltonians

Valerio Magnasco

Valerio Magnasco

University of Genoa, Genoa, Italy

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First published: 13 November 2009

Summary

This chapter contains sections titled:

  • Elements of Hartree–Fock Theory for Closed Shells

  • Roothaan Formulation of the LCAO–MO–SCF Equations

  • Molecular Self-consistent-field Calculations

  • Hückel Theory

  • A Model for the One-dimensional Crystal

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