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A numerical integration scheme for iterative calculations on atomic systems |
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| Authors: | M Blakemore G A Evans J Hyslop |
| Abstract: | A recursive numerical integration scheme based on the method of Clenshaw and Curtis is proposed for the efficient implementation of the variation–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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