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Evaluation of Self-Friction Three-Center Nuclear Attraction Integrals with Integer and Noninteger Principal Quantum Numbers n over Slater Type Orbitals
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نویسنده
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çopuroǧlu e.
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منبع
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journal of chemistry - 2017 - دوره : 2017 - شماره : 0
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چکیده
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We have proposed a new approach to evaluate self-friction (sf) three-center nuclear attraction integrals over integer and noninteger slater type orbitals (stos) by using guseinov one-range addition theorem in standard convention. a complete orthonormal set of guseinov ψα exponential type orbitals (ψα-etos,α=2,1,0,-1,-2,.) has been used to obtain the analytical expressions. the overlap integrals with noninteger quantum numbers occurring in sf three-center nuclear attraction integrals have been evaluated using qnsq auxiliary functions. the accuracy of obtained formulas is satisfactory for arbitrary integer and noninteger principal quantum numbers. © 2017 ebru çopuroǧlu.
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آدرس
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department of physics,faculty of arts and sciences,gaziosmanpaşa university,tokat, Turkey
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Authors
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