Molecular integrals for Gaussian and exp
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J. FernΓ‘ndez Rico; J. J. FernΓ‘ndez; R. LΓ³pez; G. RamΓrez
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Article
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2000
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John Wiley and Sons
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English
β 197 KB
Basis functions with arbitrary quantum numbers can be attained from those with the lowest numbers by applying shift operators. We derive the general expressions and the recurrence relations of these operators for Cartesian basis sets with Gaussian and exponential radial factors. In correspondence, t