Many-center Coulomb Sturmians and Shibuya–Wulfman integrals†
John Avery,
John Avery
H. C. Ørsted Institute, University of Copenhagen, Universitetsparken 5, Copenhagen, DK-2100, Denmark
Search for more papers by this authorJohn Avery,
John Avery
H. C. Ørsted Institute, University of Copenhagen, Universitetsparken 5, Copenhagen, DK-2100, Denmark
Search for more papers by this author†
This article is dedicated to the memory of Prof. Herbert W. Jones, one of the most important pioneers of the use of exponential-type orbitals in quantum chemistry.
Abstract
When momentum space is projected onto the surface of a unit 4-D hypersphere by means of Fock's mapping, Coulomb Sturmian basis functions can be simply represented in terms of hyperspherical harmonics. The properties of these harmonics can be used to evaluate Shibuya–Wulfman integrals and other integrals that arise when the Sturmian basis functions are used in molecular calculations. © 2003 Wiley Periodicals, Inc. Int J Quantum Chem, 2004
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