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Recurrence formulas for molecular integrals over Laguerre Gaussian-type functions |
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| Authors: | Fusanori Arakane Osamu Matsuoka |
| Abstract: | Recurrence formulas for overlap, nuclear attraction, and electron-repulsion integrals over Laguerre Gaussian-type functions are presented. They have been derived using compact recurrence relations for homogeneous solid spherical harmonic operators but are rather lengthy as compared to those over Cartesian Gaussian-type functions. © 1998 John Wiley & Sons, Inc. Int J Quant Chem 66 : 273–279, 1998 |
| Keywords: | Molecular integral recurrence formula Gaussian-type function Laguerre-Sonine polynomial |