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Coulomb Integrals over Slater-Type Atomic Orbitals

✍ Scribed by Silver, David M.

Book ID
115507055
Publisher
American Institute of Physics
Year
1968
Tongue
English
Weight
584 KB
Volume
49
Category
Article
ISSN
0021-9606

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πŸ“œ SIMILAR VOLUMES

Computer-generated formulas for two-cent
Computer-generated formulas for two-center coulomb integrals over slaterβ€’ type orbitals
✍ Herbert W. Jones πŸ“‚ Article πŸ“… 1981 πŸ› John Wiley and Sons 🌐 English βš– 326 KB

## Abstract Formulas can be automatically generated for all two‐center Coulomb integrals over Slater‐type orbitals by means of the β€œ__C__‐matrix” single‐center expansion method with use of β€œcomputer algebra.” The formula coefficients may be stored in two‐dimensional arrays.

Molecular integrals over slater orbitals
Molecular integrals over slater orbitals
✍ Michael P. Barnett πŸ“‚ Article πŸ“… 1990 πŸ› Elsevier Science 🌐 English βš– 379 KB

We have improved the outlook for c-function computations of molecular integrals over Slater orbitals by a new technique to deal with slow convergence at equal internuclear distances. It is explained by application to a prototype. In one example, tentigure accuracy results from 60 terms ofa power ser