Abstract
The main step in the calculation of the properties of atoms, molecules, and solids is finding the solution to the time-independent Schrödinger equation
where ˆH is the single-electron Hamiltonian operator.
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Further Readings
J. McMurry, Organic Chemistry, Brooks/Cole Publishing Company 1996, Chapter 1 [C66]. Some of the drawings in App. F were taken from this book.
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].
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Economou, E.N. (2010). The Method LCAO Applied to Molecules. In: The Physics of Solids. Graduate Texts in Physics. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-02069-8_29
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DOI: https://doi.org/10.1007/978-3-642-02069-8_29
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