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Analytical evaluation for two-center nuclear attraction integrals over slater type orbitals by using Fourier transform method

✍ Scribed by Selda Özcan; Emin Öztekin

Publisher
Springer
Year
2008
Tongue
English
Weight
161 KB
Volume
45
Category
Article
ISSN
0259-9791

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📜 SIMILAR VOLUMES

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Using the Lowdin alpha-function method in which displaced orbitals are expanded in spherical harmonics, two-center, two-electron repulsion integrals of the Coulomb, hybrid, and exchange type are done analytically using Slater-type orbitals. Computer algebra and integer arithmetic are used to obtain

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Using expansion formulas for the charge-density over Slater-type orbitals (STOs) obtained by the one of authors [I. I. Guseinov, J Mol Struct (Theochem) 1997, 417, 117] the multicenter molecular integrals with an arbitrary multielectron operator are expressed in terms of the overlap integrals with t