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A numerical integration scheme for iterative calculations on atomic systems

โœ Scribed by M. Blakemore; G. A. Evans; J. Hyslop

Book ID
104579005
Publisher
John Wiley and Sons
Year
1977
Tongue
English
Weight
747 KB
Volume
11
Category
Article
ISSN
0020-7608

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โœฆ Synopsis

Abstract

A recursive numerical integration scheme based on the method of Clenshaw and Curtis is proposed for the efficient implementation of the variationโ€“iteration procedure for the computation of approximate energies and wave functions for atomic systems. Extensive numerical tests are carried out to assess the accuracy and efficiency of the method and inaccuracies in some earlier calculations are pointed out.

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