Central Processing Unit (CPU) times have been found better than the integrals given with factorials.
📌 3 Key Takeaways
🎯
Objective & Hypothesis:Analytical expressions of one-center overlap, potential energy and kinetic energy integrals have been evaluated in terms of binomial coefficients by using Slater-type orbitals.
📊
Key Findings & Data:The Integrals have been calculated for different quantum numbers and shielding constants.
💡
Conclusion & Impact:Central Processing Unit (CPU) times have been found better than the integrals given with factorials.
🔬Design:Research Article
📍Scope:Comprehensive Sample
⚙️Variables:Domain Parameters
Abstract
Analytical expressions of one-center overlap, potential energy and kinetic energy integrals have been evaluated in terms of binomial coefficients by using Slater-type orbitals. The Integrals have been calculated for different quantum numbers and shielding constants. Central Processing Unit (CPU) times have been found better than the integrals given with factorials.
Özet
Slater tipi orbitaller kullanılarak tek-merkez overlap, potansiyel enerji ve kinetik enerji integralleri binom katsayıları cinsinden analitik ifadeler olarak elde edilmiştir. Bu Integraller farklı kuantum sayıları ve farklı perdeleme sabitleri için hesaplanmış, hesaplarda merkezi işlem birimi (CPU) zamanlarının faktöriyelli ifadelere göre küçük olduğu tespit edilmiştir.
🔖
Cite This Article
ÖZMEN, A., YAKAR, Y., SEZER, M. Ö., ATAV, Ü., YÜKSEL, H. (2001). Calculation of one-center overlap, potential energy and kinetic energy integrals by using binomial coefficients over Slater-type orbitals. Selçuk Üniversitesi Fen Edebiyat Fakültesi Fen Dergisi, Sayı: 18, 67–72. https://ajindex.com/articles/317641