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Four-center integrals for Gaussian and exponential functions

✍ Scribed by J. Fernández Rico; J. J. Fernández; I. Ema; R. López; G. Ramírez

Publisher
John Wiley and Sons
Year
2000
Tongue
English
Weight
251 KB
Volume
81
Category
Article
ISSN
0020-7608

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✦ Synopsis

The shift operator technique is used for deriving, in a unified manner, the master formulas for the four-center repulsion integrals involving Gaussian (GTO), Slater (STO), and Bessel (BTO) basis functions. Moreover, for the two classes of exponential-type functions (ETO), i.e., STO and BTO, we give the expressions corresponding to both the Gauss and Fourier transforms. From the comparison of the master formulas of GTO and ETO, we conclude that ETO can perform more efficiently than GTO, and we remark the points where the effort must be focused to carry out this possibility.

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