Guseinov’un STO’ları Taşıma Bağıntısındaki ω Katsayılarının Tekrarlama Bağıntılarıyla Hesaplanması

Bu çalışmada Guseinov’un Slater-tipi atom orbitallerini bir merkezden başka bir merkeze taşıma yönteminde gerekli olan ω katsayıları için tekrarlama bağıntıları elde edilmiştir. Binom katsayıları cinsinden ifade edilen ω katsayıları bu çalışmadaki tekrarlama bağıntıları ile binom katsayıları kullanılmaksızın kolaylıkla hesaplanabilir. Yapılan böyle bilgisayar hesaplamaları, her iki bağıntıdan elde edilen sonuçların aynı olduğunu göstermiştir.

Anahtar Kelimeler:

Slater-tipi atom orbitalleri, Guseinov’un seri açılım yöntemi

Calculation of ω Coefficients in the Guseinov’s Serial Expansion Method by Using Recursive Relations

: In this study, analytical expressions in the recursive form have been obtained for ω coefficients, arising in Guseinov’s serial expansion method. ω coefficients defined in terms of binomial coefficients can be easily calculated by recursive relations obtained in this work without using binomial coefficient. Calculations for both recursive relations and relation in terms of binomial coefficient are in agreement with each other.

Keywords:

Slater-type atom orbitals, Guseinov’s serial expansion method,

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