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Calculating overlap intergals with slater-type orbitals in the molecular coordinate system

✍ Scribed by I. I. Guseinov; É. M. Imamov; F. G. Pashaev; E. Kh. Ismailov

Book ID
104926612
Publisher
SP MAIK Nauka/Interperiodica
Year
1988
Tongue
English
Weight
137 KB
Volume
28
Category
Article
ISSN
0022-4766

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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