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: http://num-meth.srcc.msu.ru/english/zhurnal/tom_2006/v7r107.html
Дата изменения: Tue Feb 13 16:08:23 2007 Дата индексирования: Mon Oct 1 22:40:35 2012 Кодировка: |
"Evaluation of many-electron atomic integrals using
a Hylleraas-type basis" Ishchenko S.Ya. |
A new version of the standard series expansion algorithm for calculation of one-center many-particle correlation integrals is proposed. The performance of this algorithm is considerably increased due to a special order of computation of auxiliary $W$-integrals using recurrent formulas to express one integral in terms of another integral. This technique allows one to compute an array of $W$-functions and to retain the numerical accuracy of computations by evaluating a small number of its components with the use of infinite series. Evaluation of $W$-integrals by infinite series and extrapolation procedures are also improved.
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Ishchenko S.Ya. e-mail: itshenk@mech.math.msu.ru |