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The calculation of overlap integrals

โœ Scribed by V. V. Krivitskii; A. G. Khasabov


Publisher
SP MAIK Nauka/Interperiodica
Year
1970
Tongue
English
Weight
114 KB
Volume
11
Category
Article
ISSN
0022-4766

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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