3. The Electron Density

  1. N. Sukumar1,2
  1. N. Sukumar1,2 and
  2. Sunanda Sukumar1

Published Online: 24 SEP 2012

DOI: 10.1002/9781118431740.ch3

A Matter of Density: Exploring the Electron Density Concept in the Chemical, Biological, and Materials Sciences

A Matter of Density: Exploring the Electron Density Concept in the Chemical, Biological, and Materials Sciences

How to Cite

Sukumar, N. and Sukumar, S. (2012) The Electron Density, in A Matter of Density: Exploring the Electron Density Concept in the Chemical, Biological, and Materials Sciences (ed N. Sukumar), John Wiley & Sons, Inc., Hoboken, NJ, USA. doi: 10.1002/9781118431740.ch3

Editor Information

  1. 1

    Department of Chemistry, Shiv Nadar University, India

  2. 2

    Rensselaer Exploratory Center for Cheminformatics Research, Troy, NY, USA

Author Information

  1. 1

    Department of Chemistry, Shiv Nadar University, India

  2. 2

    Rensselaer Exploratory Center for Cheminformatics Research, Troy, NY, USA

Publication History

  1. Published Online: 24 SEP 2012
  2. Published Print: 26 OCT 2012

ISBN Information

Print ISBN: 9780470769003

Online ISBN: 9781118431740

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Keywords:

  • the electron density, central to modern chemistry;
  • the Born–Oppenheimer separation, and intramolecular forces;
  • many-electron systems, and self-consistent treatment;
  • diffraction patterns, measured with trial structure finding;
  • The Patterson method in unraveling complex structures

Summary

This chapter contains sections titled:

  • Molecular Structure

  • Self-Consistent Treatment of Many-Electronsystems

  • Density Matrices and Electron Correlation

  • Experimental Determination of the Electron Density

  • Concluding Remarks

  • References