Calculation of One-Center Overlap, Potential Energy and Kinetic Energy Integrals by Using Binomiaal Coefficients Over Slater-Type Orbitals

Ayhan Özmen; Yusuf Yakar; M.özgür Sezer; Ülfet Atav; Hüseyin Yüksel

TR EN

Binom Katsayıları Kullanarak Tek Merkezli Overlap, Potansiyel Enerji ve Kinetik Enerji İntegrallerinin Slater-Tipi Orbitaller Üzerinden Hesaplanması

Abstract

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.

Keywords

Slater tipi orbitaller, overlap integralleri, kinetik ve potansiyel enerji integralleri.

Details

Primary Language

English

Subjects

-

Journal Section

-

Authors

Ayhan Özmen This is me

Yusuf Yakar This is me

M.özgür Sezer This is me

Ülfet Atav This is me

Hüseyin Yüksel This is me

Publication Date

June 1, 2001

Submission Date

June 1, 2001

Acceptance Date

-

Published in Issue

Year 2001 Volume: 1 Number: 18

IZ

https://izlik.org/JA26DH59WG

Cite

RIS / Bibtex

APA

Özmen, A., Yakar, Y., Sezer, M., Atav, Ü., & Yüksel, H. (2001). Calculation of One-Center Overlap, Potential Energy and Kinetic Energy Integrals by Using Binomiaal Coefficients Over Slater-Type Orbitals. Selcuk University Journal of Science Faculty, 1(18), 67-72. https://izlik.org/JA26DH59WG

AMA

1.Özmen A, Yakar Y, Sezer M, Atav Ü, Yüksel H. Calculation of One-Center Overlap, Potential Energy and Kinetic Energy Integrals by Using Binomiaal Coefficients Over Slater-Type Orbitals. Selcuk University Journal of Science Faculty. 2001;1(18):67-72. https://izlik.org/JA26DH59WG

Chicago

Özmen, Ayhan, Yusuf Yakar, M.özgür Sezer, Ülfet Atav, and Hüseyin Yüksel. 2001. “Calculation of One-Center Overlap, Potential Energy and Kinetic Energy Integrals by Using Binomiaal Coefficients Over Slater-Type Orbitals”. Selcuk University Journal of Science Faculty 1 (18): 67-72. https://izlik.org/JA26DH59WG.

EndNote

Özmen A, Yakar Y, Sezer M, Atav Ü, Yüksel H (June 1, 2001) Calculation of One-Center Overlap, Potential Energy and Kinetic Energy Integrals by Using Binomiaal Coefficients Over Slater-Type Orbitals. Selcuk University Journal of Science Faculty 1 18 67–72.

IEEE

[1]A. Özmen, Y. Yakar, M. Sezer, Ü. Atav, and H. Yüksel, “Calculation of One-Center Overlap, Potential Energy and Kinetic Energy Integrals by Using Binomiaal Coefficients Over Slater-Type Orbitals”, Selcuk University Journal of Science Faculty, vol. 1, no. 18, pp. 67–72, June 2001, [Online]. Available: https://izlik.org/JA26DH59WG

ISNAD

Özmen, Ayhan - Yakar, Yusuf - Sezer, M.özgür - Atav, Ülfet - Yüksel, Hüseyin. “Calculation of One-Center Overlap, Potential Energy and Kinetic Energy Integrals by Using Binomiaal Coefficients Over Slater-Type Orbitals”. Selcuk University Journal of Science Faculty 1/18 (June 1, 2001): 67-72. https://izlik.org/JA26DH59WG.

JAMA

1.Özmen A, Yakar Y, Sezer M, Atav Ü, Yüksel H. Calculation of One-Center Overlap, Potential Energy and Kinetic Energy Integrals by Using Binomiaal Coefficients Over Slater-Type Orbitals. Selcuk University Journal of Science Faculty. 2001;1:67–72.

MLA

Özmen, Ayhan, et al. “Calculation of One-Center Overlap, Potential Energy and Kinetic Energy Integrals by Using Binomiaal Coefficients Over Slater-Type Orbitals”. Selcuk University Journal of Science Faculty, vol. 1, no. 18, June 2001, pp. 67-72, https://izlik.org/JA26DH59WG.

Vancouver

1.Ayhan Özmen, Yusuf Yakar, M.özgür Sezer, Ülfet Atav, Hüseyin Yüksel. Calculation of One-Center Overlap, Potential Energy and Kinetic Energy Integrals by Using Binomiaal Coefficients Over Slater-Type Orbitals. Selcuk University Journal of Science Faculty [Internet]. 2001 Jun. 1;1(18):67-72. Available from: https://izlik.org/JA26DH59WG