Evaluation of the alpha-function for lar
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H. W. Jones; J. L. Jain
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Article
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1996
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John Wiley and Sons
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English
⚖ 202 KB
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In carrying out our plan for doing multicenter molecular integrals over Slater-type orbitals, it is necessary to evaluate the Lowdin a-function over a grid from the origin of the coordinate system to the displacement distance of the center of the orbital. A previous article obtained excellent result