Localized Atomic Hybrids: A General Theory

  • G. G. Hall
  • D. Rees
Chapter

Abstract

The combination of atomic orbitals into hybrids in order to achieve a better quantum chemical description of directed valence can be traced back to Pauling [1], Hultgren [2] and Slater [3] who derived and used the familiar tetrahedral hybrids to explain the directional characteristics of the tetrahedral carbon atom. Since their work is now seen as rather limited, because of the minimal basis sets which they used, and since directed valence is still needed for didactic and interpretative purposes, it is important to look at the topic afresh. In the context of modern computer calculations there are few advantages in the use of hybrid orbitals until we attempt to interpret the results. Hybrids can then play a major role in analysing meaningfully the structure of a molecule and relating it to its chemical analogues.

Keywords

Basis Function Grid Point Diagonal Block Localize Hybrid Angular Factor 
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

© Springer Science+Business Media Dordrecht 1997

Authors and Affiliations

  • G. G. Hall
    • 1
  • D. Rees
    • 2
  1. 1.Shell Centre for Mathematical EducationUniversity of NottinghamNottinghamEngland
  2. 2.Department of MathematicsUniversity of NottinghamNottinghamEngland

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