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Expansion formula for the product of two normalized associated Legendre functions in the evaluation of multicenter integrals

✍ Scribed by T. Özdogan; M. Orbay

Book ID
110149192
Publisher
SP MAIK Nauka/Interperiodica
Year
2007
Tongue
English
Weight
585 KB
Volume
82
Category
Article
ISSN
0001-4346

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📜 SIMILAR VOLUMES

Gaussian expansions of orbital products
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✍ P.D. Dacre; M. Elder 📂 Article 📅 1971 🏛 Elsevier Science 🌐 English ⚖ 299 KB

A method is described for evaluating multicenter integrals over contrscted gaussim-trye orbit& by Use of gaussian expansion Of orbital products. The expansions are determined by the method of nonlinear least swares with constraints. There ia no restriction tipon the symmetry of the orbital product

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✍ P.D. Dacre; M. Elder 📂 Article 📅 1971 🏛 Elsevier Science 🌐 English ⚖ 334 KB

A previously described method for the evaluation of multi-centre integrah using gaussian function expansions of orbital products is rigorously tested. The ground state of the permarqanate ion was studied by an ab iaitio SCP MO ulculetion using a minimal basis set of contracted geussian functions of