๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

THE EXPANSION POINT METHOD FOR IMPROVED CALCULATION OF DIFFICULT TRANSPORT INTEGRALS

โœ Scribed by Davis, Richard A.; Hanna, Owen T.

Book ID
121261772
Publisher
Taylor and Francis Group
Year
2013
Tongue
English
Weight
236 KB
Volume
200
Category
Article
ISSN
0098-6445

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๐Ÿ“œ SIMILAR VOLUMES

The orbital-product expansion method for
The orbital-product expansion method for the evaluation of two-electron integrals applied to a calculation on MnO4โˆ’
โœ P.D. Dacre; M. Elder ๐Ÿ“‚ Article ๐Ÿ“… 1971 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 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

On the calculation of arbitrary multiele
On the calculation of arbitrary multielectron molecular integrals over Slater-type orbitals using recurrence relations for overlap integrals. II. Two-center expansion method
โœ I. I. Guseinov; B. A. Mamedov ๐Ÿ“‚ Article ๐Ÿ“… 2000 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 186 KB ๐Ÿ‘ 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