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Computer programs for the calculation of overlap integrals

โœ Scribed by Offenhartz, Peter O'Donnell

Book ID
123610885
Publisher
American Chemical Society
Year
1967
Tongue
English
Weight
1012 KB
Volume
44
Category
Article
ISSN
0021-9584

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๐Ÿ“œ SIMILAR VOLUMES

The calculation of overlap integrals
The calculation of overlap integrals
โœ V. V. Krivitskii; A. G. Khasabov ๐Ÿ“‚ Article ๐Ÿ“… 1970 ๐Ÿ› SP MAIK Nauka/Interperiodica ๐ŸŒ English โš– 114 KB
Recursion formulae for calculation of ov
Recursion formulae for calculation of overlap integrals
โœ N. C. Datta; B. Sen ๐Ÿ“‚ Article ๐Ÿ“… 1987 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 314 KB

Multi-( Slater-type orbitals are frequently used in molecular orbital calculations. Master formulae and numerical tables are available in literature for overlap integrals between s, p , and d atomic orbitals up to principal quantum number (n) = 3 and for some other selected quantum numbers. However,