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Semiempirical calculation of two-electron integrals using bipolar expansion of the Ohno potential

✍ Scribed by S. K. Ignatov; A. G. Razuvaev; V. N. Kokorev; Yu. A. Aleksandrov

Book ID
110563837
Publisher
SP MAIK Nauka/Interperiodica
Year
1995
Tongue
English
Weight
416 KB
Volume
36
Category
Article
ISSN
0022-4766

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✍ D. E. Parry; M. A. Whitehead πŸ“‚ Article πŸ“… 1982 πŸ› John Wiley and Sons 🌐 English βš– 295 KB πŸ‘ 1 views

## Abstract Explicit functional forms for both the two‐electron Coulomb integral, (__aa∣bb__), and the one‐center core–orbital integrals, __Z__ (__aa__∣__Z__~__A__~), are derived which permit the penetration integrals to be fully derived and calculated. With these forms the ^3^Ξ£ of the H~2~ molecul