Abstract
The one-electron schemes of quantum chemistry can be divided into three classes: Hückel-type methods, semiempirical SCF models, ab-initio SCF model. We include in the second class also the so-called density-functional methods, even though they do not belong to it in a strict sense. We shall discuss first of all the models of the first class, then we shall derive the equations for the SCF methods, and discuss the physical meaning of those simpler models; then we shall give the SCF forms of the best known semiempirical schemes; we shall briefly consider the current ab initio SCF models only with reference to the hidden semiempirical features associated with the choice of the basis and of the geometry.
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© 1980 Springer-Verlag Berlin Heidelberg
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Del Re, G., Berthier, G., Serre, J. (1980). One-Electron Schemes. In: Electronic States of Molecules and Atom Clusters. Lecture Notes in Chemistry, vol 13. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-93134-5_3
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DOI: https://doi.org/10.1007/978-3-642-93134-5_3
Publisher Name: Springer, Berlin, Heidelberg
Print ISBN: 978-3-540-09738-9
Online ISBN: 978-3-642-93134-5
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