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Problem Solving in Computational Molecular Science pp 109–158Cite as

Practical Ab Initio Methods for Molecular Electronic Structure Studies. II. Finite Basis Sets and the Algebraic Approximation

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Part of the book series: NATO ASI Series ((ASIC,volume 500))

Abstract

The use of finite analytic basis sets in molecular electronic structure calculations is ubiquitous. In this article, a review of the fundamentals of the algebraic aprroximation is given together with a survey of some of the more promising recent developments in the systematic approximation of molecular electronic structure by means of finite basis set expansions.

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  1. Rutherford Appleton Laboratory, Chilton, Oxfordshire, OX11 0QX, England

    S. Wilson

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  1. S. Wilson
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  1. Rutherford Appleton Laboratory, Oxfordshire, UK

    S. Wilson

  2. Max-Planck Institut for Astrophysik, Garching, Germany

    G. H. F. Diercksen

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© 1997 Kluwer Academic Publishers

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Wilson, S. (1997). Practical Ab Initio Methods for Molecular Electronic Structure Studies. II. Finite Basis Sets and the Algebraic Approximation. In: Wilson, S., Diercksen, G.H.F. (eds) Problem Solving in Computational Molecular Science. NATO ASI Series, vol 500. Springer, Dordrecht. https://doi.org/10.1007/978-94-009-0039-4_4

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  • DOI: https://doi.org/10.1007/978-94-009-0039-4_4

  • Publisher Name: Springer, Dordrecht

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