15. Ab Initio Methods: Approximate Methods and Density Functional Theory

  1. J. Tinsley Oden

Published Online: 30 NOV 2011

DOI: 10.1002/9781118105733.ch15

An Introduction to Mathematical Modeling: A Course in Mechanics

An Introduction to Mathematical Modeling: A Course in Mechanics

How to Cite

Oden, J. T. (2011) Ab Initio Methods: Approximate Methods and Density Functional Theory, in An Introduction to Mathematical Modeling: A Course in Mechanics, John Wiley & Sons, Inc., Hoboken, NJ, USA. doi: 10.1002/9781118105733.ch15

Publication History

  1. Published Online: 30 NOV 2011
  2. Published Print: 30 SEP 2011

ISBN Information

Print ISBN: 9781118019030

Online ISBN: 9781118105733

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Keywords:

  • Ab initio methods;
  • approximate methods;
  • density functional theory;
  • Born–Oppenheimer approximation;
  • Hartree–Fock methods

Summary

This chapter contains sections titled:

  • Introduction

  • The Born–Oppenheimer Approximation

  • The Born–Oppenheimer Approximation

  • The Hartree and the Hartree–Fock Methods

  • Density Functional Theory