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

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

Year 2001, Volume: 1 Issue: 18, 67 - 72, 01.06.2001

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

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.

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

Year 2001, Volume: 1 Issue: 18, 67 - 72, 01.06.2001

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

Abstract

Keywords

Slater-type Orbitals , overlap integrals , kinetic and potential energy integrals

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Details

Other ID	JA58UT28GA
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
Submission Date	June 1, 2001
Publication Date	June 1, 2001
Published in Issue	Year 2001 Volume: 1 Issue: 18

Cite

APA	Özmen, A., Yakar, Y., Sezer, M., … Atav, Ü. (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.
AMA	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. June 2001;1(18):67-72.
Chicago	Özmen, Ayhan, Yusuf Yakar, M.özgür Sezer, Ülfet Atav, and 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 1, no. 18 (June 2001): 67-72.
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	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, 2001.
ISNAD	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 1/18 (June2001), 67-72.
JAMA	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, 2001, pp. 67-72.
Vancouver	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.

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Journal Owner: On behalf of Selçuk University Faculty of Science, Rector Prof. Dr. Hüseyin YILMAZ
Selcuk University Journal of Science Faculty accepts articles in Turkish and English with original results in basic sciences and other applied sciences. The journal may also include compilations containing current innovations.

It was first published in 1981 as "S.Ü. Fen-Edebiyat Fakültesi Dergisi" and was published under this name until 1984 (Number 1-4).
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