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• W2108407712 abstract "Many types of molecular integrals involving Slater functions can be expressed, with the ζ-function method in terms of sets of one-dimensional auxiliary integrals whose integrands contain two-range functions. After reviewing the properties of these functions (including recurrence relations, derivatives, integral representations, and series expansions), we carry out a detailed study of the auxiliary integrals aimed to facilitate both the formal and computational applications of the ζ-function method. The usefulness of this study in formal applications is illustrated with an example. The high performance in numerical applications is proved by the development of a very efficient program for the calculation of two-center integrals with Slater functions corresponding to electrostatic potential, electric field, and electric field gradient. © 2006 Wiley Periodicals, Inc. Int J Quantum Chem, 2006" @default.
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• W2108407712 date "2006-01-01" @default.
• W2108407712 modified "2023-10-05" @default.
• W2108407712 title "Auxiliary functions for molecular integrals with Slater-type orbitals. I. Translation methods" @default.
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• W2108407712 doi "https://doi.org/10.1002/qua.21002" @default.
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