The multicenter charge-density expansion coefficients [I. I. Guseinov, J Mol Struct (Theochem) 417, 117 (1997)] appearing in the molecular integrals with an arbitrary multielectron operator were calculated for extremely large quantum numbers of Slater-type orbitals (STOs). As an example, using compu
โฆ LIBER โฆ
The calculation of reactions of the type (a, ab) using the plane-wave expansion method: (I). General formalism for the direct one-step process
โ Scribed by Richard D. Koshel
- Publisher
- Elsevier Science
- Year
- 1976
- Tongue
- English
- Weight
- 578 KB
- Volume
- 260
- Category
- Article
- ISSN
- 0375-9474
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
On the calculation of arbitrary multiele
โ
I. I. Guseinov; B. A. Mamedov
๐
Article
๐
2000
๐
John Wiley and Sons
๐
English
โ 173 KB
๐ 2 views
On the calculation of arbitrary multiele
โ
I. I. Guseinov; B. A. Mamedov
๐
Article
๐
2000
๐
John Wiley and Sons
๐
English
โ 186 KB
๐ 2 views
Using expansion formulas for the charge-density over Slater-type orbitals (STOs) obtained by the one of authors [I. I. Guseinov, J Mol Struct (Theochem) 1997, 417, 117] the multicenter molecular integrals with an arbitrary multielectron operator are expressed in terms of the overlap integrals with t