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Analytical calculation of spin-spin molecular integrals with orbitals of the slater type

✍ Scribed by I. I. Guseinov; É. M. Imamov

Publisher
SP MAIK Nauka/Interperiodica
Year
1980
Tongue
English
Weight
184 KB
Volume
20
Category
Article
ISSN
0022-4766

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📜 SIMILAR VOLUMES

Comprehensive strategy for the calculati
Comprehensive strategy for the calculation of overlap integrals with Slater-type orbitals
✍ Herbert W. Jones 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 141 KB 👁 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 ␣-functions äs coefficients. The exponentials in the ␣-functions are expanded, leading to representation in terms of stored E and