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Two-center nonexchange integrals over Slater orbitals

โœ Scribed by Barnett, Michael P.

Book ID
120959218
Publisher
American Institute of Physics
Year
2000
Tongue
English
Weight
408 KB
Volume
113
Category
Article
ISSN
0021-9606

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๐Ÿ“œ SIMILAR VOLUMES

Molecular integrals over slater orbitals
Molecular integrals over slater orbitals
โœ Michael P. Barnett ๐Ÿ“‚ Article ๐Ÿ“… 1990 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 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

Computer-generated formulas for two-cent
Computer-generated formulas for two-center coulomb integrals over slaterโ€’ type orbitals
โœ Herbert W. Jones ๐Ÿ“‚ Article ๐Ÿ“… 1981 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 326 KB

## Abstract Formulas can be automatically generated for all twoโ€center Coulomb integrals over Slaterโ€type orbitals by means of the โ€œ__C__โ€matrixโ€ singleโ€center expansion method with use of โ€œcomputer algebra.โ€ The formula coefficients may be stored in twoโ€dimensional arrays.