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Calculation of the group overlap integrals of the theory of coordination compounds and crystals

โœ Scribed by A. O. Litinskii; M. Z. Balyavichus


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

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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