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Floating s and p-type gaussian orbitals

✍ Scribed by D.F. Brailsford; G.G. Hall; N. Hemming; D. Martin

Publisher
Elsevier Science
Year
1975
Tongue
English
Weight
351 KB
Volume
35
Category
Article
ISSN
0009-2614

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πŸ“œ SIMILAR VOLUMES

Basis sets of gaussian and Slater-type a
Basis sets of gaussian and Slater-type atomic orbitals
✍ D.M. Silver πŸ“‚ Article πŸ“… 1970 πŸ› Elsevier Science 🌐 English βš– 464 KB

Em-opPen dc CaIcrtl Alomiqur cl Mol&rrIaire. CECAM. Bt?fin~~~d 506. 91 Cantpus d'Orsay. Fv-ance Receivcrl 9 October 1970 The'concept of constructing moleculnr wivcfunctions using basis sets whose members consist of both Slater-type and gaussian-type atomic orbit:ds is ex:lmined through pilot SCF cal

Hydrogen-type orbitals in terms of Gauss
Hydrogen-type orbitals in terms of Gaussian functions
✍ Herbert F. M. Dacosta; Milan Trsic; Alfredo M. Simas πŸ“‚ Article πŸ“… 1997 πŸ› John Wiley and Sons 🌐 English βš– 197 KB

We express the hydrogen-type orbitals as integral transforms of Gaussian functions. The topographic features of the analytical expressions for the weight functions provide ways for the design of basis sets.

Exact Gaussian expansions of Slater-type
Exact Gaussian expansions of Slater-type atomic orbitals
✍ AndrΓ© Severo Pereira Gomes; RogΓ©rio Custodio πŸ“‚ Article πŸ“… 2002 πŸ› John Wiley and Sons 🌐 English βš– 97 KB

## Abstract Three exact Slater‐type function (STO) integral transforms are presented. The STO‐NG basis set can then be developed using either only 1s Gaussian functions, the same Gaussian exponents for each shell, or using the first Gaussian of each symmetry. The use of any of these three alternati