The Method LCAO Applied to Molecules

  • Eleftherios N. EconomouEmail author
Part of the Graduate Texts in Physics book series (GTP)


The main step in the calculation of the properties of atoms, molecules, and solids is finding the solution to the time-independent Schrödinger equation
$$\widehat{H} \psi = E \psi,$$
where ˆH is the single-electron Hamiltonian operator.


Matrix Element Molecular Orbital Dissociation Energy Atomic Orbital Hybrid Orbital 
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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Further Readings

  1. J. McMurry, Organic Chemistry, Brooks/Cole Publishing Company 1996, Chapter 1 [C66]. Some of the drawings in App. F were taken from this book.Google Scholar
  2. W.A. Harrison, Electronic Structure and the Properties of Solids, W.H. Freeman, San Francisco, 1980, Chapter 1 [SS76]; see also W.A. Harrison, Elementary Electronic Structure, World Scientific, Singapore, 1999, pp. 9–16, 22–31, 57–65 [SS84].Google Scholar

Copyright information

© Springer-Verlag Berlin Heidelberg 2010

Authors and Affiliations

  1. 1.Foundation for Research and Technology-Hellas (FORTH) Department of PhysicsUniversity of CreteHeraklionGreece

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