TOM 发表于 2025-3-30 10:43:23

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发芽 发表于 2025-3-30 15:22:10

Use of the Neumann Expansion in Evaluation of Multicenter Electron-Repulsion Integrals for Slater-T expansion for the inverse distance . in the elliptical coordinates which occur in linear-combination-of-r. atomic orbitals calculations with Slater-type orbitals (STD’s). The final results are expressed in terms of the well-known auxiliary functions q.(P,.). The convergence of the series is tested by calculating concrete cases.

staging 发表于 2025-3-30 17:05:29

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终点 发表于 2025-3-31 00:20:47

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Obliterate 发表于 2025-3-31 02:41:42

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剧本 发表于 2025-3-31 05:13:09

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增长 发表于 2025-3-31 12:55:26

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allude 发表于 2025-3-31 14:19:42

Foucault and Complexity Theory,over Slater-type orbitals. Explicit formulas for two-center overlap., Coulomb., and hybrid. integrals have been automatically generated by computer using this method. Accurate numerical evaluation. of these formulas for all values of parameters can be achieved by machine manipulation of these formul

MORPH 发表于 2025-3-31 21:35:41

oblem can be reduced to the calculation of spherical Bessel transforms, i.e., integral transforms with kernel j.(kr). A very effective method for carrying out such transforms numerically using logarithmic coordinates has recently been developed, and this method is applied to the translation problem.

seroma 发表于 2025-4-1 00:31:02

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查看完整版本: Titlebook: ETO Multicenter Molecular Integrals; Proceedings of the F Charles A. Weatherford,Herbert W. Jones Conference proceedings 1982 D. Reidel Pub