Titlebook: ETO Multicenter Molecular Integrals; Proceedings of the F Charles A. Weatherford,Herbert W. Jones Conference proceedings 1982 D. Reidel Pub

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The Philosophy and Strategy for STO Integral Evaluation Using the C-Matrix Algebraic Single-Center as into appropriate Taylor series. The policy of carrying out all algebraic manipulations by computer and using different formulas for different ranges of parameters re-establishes the use of formulas for integral evaluation after the abandonment of this approach many years ago.

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Slater.. These functions may then properly be called orthonormal Slaters (ONSs). The radial parts may be constructed, as Slater points out, by an analytical Gram-Schmidt process from the minimum n-quantum number, normalized radial Slaters.

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lude the power series expansions for small arguments, and continued-fraction or asymptotic expansions for large arguments.. None of these methods are fast for a large intermediate argument range, and the integrals are often evaluated by finite numerically fitted Chebyshev. or rational-fraction. expansions.

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integration variables are to be defined with respect to one common center. Therefore, it is necessary to express all those exponential-type functions (ETF’s) and operators, which occur in the integrand, with respect to the chosen fixed reference system of integration. This causes serious problems b