Abstract
The two-center exchange integral containing the electron correlation multiplier r12 k , over Slater –type orbitals have been obtained when k is even and when k is odd . The combination of their analytical equations in the same expression have been established . leads to using a single algorithm, which simplifying the calculation of quantum mechanical for molecules .
| Original language | English |
|---|---|
| Pages (from-to) | 2611-2613 |
| Number of pages | 3 |
| Journal | International Journal of Engineering Research and Technology |
| Volume | 12 |
| Issue number | 12 |
| State | Published - 2019 |
| Externally published | Yes |
Keywords
- Electron correlation multiplier
- Slater –type orbitals
- Two-center exchange integral