| Autor: |
MAMEDOV, Bahtiyar Akber, COPUROGLU, Ebru |
| Předmět: |
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| Zdroj: |
AIP Conference Proceedings; 2017, Vol. 1815 Issue 1, p1-4, 4p, 1 Chart |
| Abstrakt: |
By using the Löwdin-α function method, we have analytically calculated the two-center kinetic energy integrals over Slater type orbitals (STOs). The two-center kinetic energy integrals are presented in terms of the two-center overlap integrals. A new approach is applicable to accurate calculations of two-center kinetic energy integral over STOs for arbitrary values of scaling parameters and interatomic distances. Obtained results show that the proposed method is easy to apply to the real systems, and has better calculation CPU time with compared to the existing approximations. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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