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Spline representation. I. Linear spline bases for atomic calculations
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10.The basis functions which give the sliced polynomial representation were used in the hydrogen atom calculations because the diagonal matrix elements are all of comparable magnitude in this representation. The basis is more convenient for larger atoms because the two‐electron integrals are simpler.
11.Note that the density matrix is the reciprocal representation of the density operator in a sliced polynomial representation: , where .
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