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Analytical evaluation of three-center nuclear-attraction integrals over s-Slater orbitals for asymmetrical conformations of the centers

✍ Scribed by Katrin Peuker; María Belén Ruiz

Publisher
Springer
Year
2007
Tongue
English
Weight
165 KB
Volume
43
Category
Article
ISSN
0259-9791

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📜 SIMILAR VOLUMES

Approximation of three-center nuclear at
Approximation of three-center nuclear attraction integrals over slater-type orbitals
✍ J. Reinhold; H. Zwanziger; Ch. Meyer 📂 Article 📅 1974 🏛 Elsevier Science 🌐 English ⚖ 385 KB

A simple method for the rppro.ximation of three-center nuclear attraction integrals is given. In (x,ll/r,lx$ the point charge is expanded aroung the center 6. For the terms of the expansion in the potential a suitable appro.xbnation is used such that the integral is reduced to overlap-type integrals