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Molecular integrals over slater orbitals

✍ Scribed by Michael P. Barnett

Publisher
Elsevier Science
Year
1990
Tongue
English
Weight
379 KB
Volume
166
Category
Article
ISSN
0009-2614

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✦ Synopsis

We have improved the outlook for c-function computations of molecular integrals over Slater orbitals by a new technique to deal with slow convergence at equal internuclear distances. It is explained by application to a prototype. In one example, tentigure accuracy results from 60 terms ofa power series in the new formulation, where IO" terms containing complicated functions would have previously been needed.

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