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Algorithms for some integrals of bessel functions and multivariate Gaussian integrals

โœ Scribed by Riho Terras


Publisher
Elsevier Science
Year
1981
Tongue
English
Weight
353 KB
Volume
41
Category
Article
ISSN
0021-9991

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๐Ÿ“œ SIMILAR VOLUMES


Four-center integrals for Gaussian and e
โœ J. Fernรกndez Rico; J. J. Fernรกndez; I. Ema; R. Lรณpez; G. Ramรญrez ๐Ÿ“‚ Article ๐Ÿ“… 2000 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 251 KB

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

Molecular integrals for Gaussian and exp
โœ J. Fernรกndez Rico; J. J. Fernรกndez; R. Lรณpez; G. Ramรญrez ๐Ÿ“‚ Article ๐Ÿ“… 2000 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 197 KB

Basis functions with arbitrary quantum numbers can be attained from those with the lowest numbers by applying shift operators. We derive the general expressions and the recurrence relations of these operators for Cartesian basis sets with Gaussian and exponential radial factors. In correspondence, t