10. Probing Electron Dynamics with the Laplacian of the Momentum Density

  1. N. Sukumar3,4
  1. Preston J. MacDougall1 and
  2. M. Creon Levit2

Published Online: 24 SEP 2012

DOI: 10.1002/9781118431740.ch10

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

MacDougall, P. J. and Levit, M. C. (2012) Probing Electron Dynamics with the Laplacian of the Momentum 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.ch10

Editor Information

  1. 3

    Department of Chemistry, Shiv Nadar University, India

  2. 4

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

Author Information

  1. 1

    Department of Chemistry and Center for Computational Science, Middle Tennessee State University, Murfreesboro, TN, USA

  2. 2

    NASA, Advanced Supercomputing Division, Ames Research Center, Moffett Field, CA, USA

Publication History

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

ISBN Information

Print ISBN: 9780470769003

Online ISBN: 9781118431740

SEARCH

Keywords:

  • probing electron dynamics with the Laplacian of the momentum density;
  • six-dimensional Husimi functions, “fuzzy” distributions of position/momentum;
  • physicochemical information from electron momentum density analysis;
  • Laplacian, much more on structure, molecule electronic transport properties;
  • semiconductor device properties, switchable, using logic gates

Summary

This chapter contains sections titled:

  • Introduction

  • Computational Methods

  • A Postulate and its Existing Support

  • Structure of Motion, Transferability, and Anisotropy

  • Conclusion

  • Acknowledgments

  • References