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Concepts of Charge Density Analysis: The Theoretical Approach

  • Vedene H. SmithJr.

Abstract

Over the past twenty years the realization has become more and more wide spread that our understanding of chemical bonding and chemical reactions is based upon the electron density or the one-electron density matrix. This extends beyond the mere interpretation of the phenomena and the provision of a theoretical framework for the analysis of the data, to the fact that theoretical calculations can provide data about the electronic structure and structural properties of systems that are not measured readily.

Keywords

Spin Orbital Hamiltonian Operator Schrodinger Equation Virial Theorem Slater Determinant 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© Plenum Press, New York 1982

Authors and Affiliations

  • Vedene H. SmithJr.
    • 1
  1. 1.Department of ChemistryQueen’s UniversityKingstonCanada

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