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A unified scheme for the calculation of differentiated and undifferentiated molecular integrals over solid-harmonic Gaussians

✍ Scribed by Reine, Simen; Tellgren, Erik; Helgaker, Trygve

Book ID: 118116141
Publisher: Royal Society of Chemistry
Year: 2007
Tongue: English
Weight: 195 KB
Volume: 9
Category: Article
ISSN: 1463-9076
DOI: 10.1039/b705594c

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📜 SIMILAR VOLUMES

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✍ I. I. Guseinov; B. A. Mamedov 📂 Article 📅 2000 🏛 John Wiley and Sons 🌐 English ⚖ 186 KB 👁 2 views

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

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✍ I. I. Guseinov; B. A. Mamedov 📂 Article 📅 2000 🏛 John Wiley and Sons 🌐 English ⚖ 173 KB 👁 2 views

The multicenter charge-density expansion coefficients [I. I. Guseinov, J Mol Struct (Theochem) 417, 117 (1997)] appearing in the molecular integrals with an arbitrary multielectron operator were calculated for extremely large quantum numbers of Slater-type orbitals (STOs). As an example, using compu