๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Calculation of overlap integrals of the general form

โœ Scribed by N. P. Borisova; L. P. Bokacheva

Publisher
SP MAIK Nauka/Interperiodica
Year
1970
Tongue
English
Weight
201 KB
Volume
10
Category
Article
ISSN
0022-4766

No coin nor oath required. For personal study only.

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,

Comprehensive strategy for the calculati
Comprehensive strategy for the calculation of overlap integrals with Slater-type orbitals
โœ Herbert W. Jones ๐Ÿ“‚ Article ๐Ÿ“… 1997 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 141 KB ๐Ÿ‘ 1 views

A strategy is presented for the calculation of two-center overlap integrals over Slater-type orbitals. Displaced orbitals are expanded in spherical harmonics with Lowdin โฃ-functions รคs coefficients. The exponentials in the โฃ-functions are expanded, leading to representation in terms of stored E and