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Molecular Orbital Theory

  • J. Goodisman

Abstract

Now we return to H2+ and reexamine the bond wave function in another light. We found that φA +φB gave an energy (internuclear repulsion plus expectation value of the Hamiltonian) that, as a function of R, passed through a minimum, thus predicting a stable molecule. Here, φA and φB were 1s atomic orbitals centered on nuclei A and B. In this chapter, we will generalize the H2+ wave function to other molecules, but in a way different from what we have already discussed.

Keywords

Molecular Orbital Bond Order Atomic Orbital Secular Equation Molecular Plane 
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 1977

Authors and Affiliations

  • J. Goodisman
    • 1
  1. 1.Syracuse UniversitySyracuseUSA

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