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Exact formulas for overlap integrals of Slater-type orbitals with equal screening constants
Authors:Herbert W. Jones
Abstract:Exact formulas for 147 overlap integrals between Slater-type orbitals with equal screening constants are presented in the most simplified form. This represents all combinations of orbitals with quantum numbers: 1 ≤ N ≤ 5, 0 ≤ L ≤ 3, and ML. The formulas are automatically generated by computer using the “C-matrix” single-center expansion method. There are no limitations to the applicability of this method to orbitals of higher quantum numbers.
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