New method to evaluate atomic electron-repulsion integrals (Q2638719): Difference between revisions

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Latest revision as of 12:43, 21 June 2024

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New method to evaluate atomic electron-repulsion integrals
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    New method to evaluate atomic electron-repulsion integrals (English)
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    Some special improper integrals of the first kind are solved numerically by use of 20-point Gauss-Laguerre quadrature. These integrals appear in atomic electronic structure calculations by orbital methods.
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    improper integrals
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    Gauss-Laguerre quadrature
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    atomic electronic structure calculations
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    orbital methods
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