On the Evaluation of Two—Center Overlap Integrals over Integer and Noninteger n—Slater—Type Orbitals

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摘要 In this study,two-center overlap integrals over Slater-type orbitals (STOs) with integer and noninteger principal quantum numbers in unaligkned coordinate systems have been calculated using formulas for overlap integrals in aligned coordinate systems obtained by the author's previous work (T.Ozdogan and M.Orbay,Int.J.Quant,Chem.87 (2002) 15).The obtained results for integer case have been found to be in excellent agreement with the prior literature.On the other hand,to the best of authors knowledge,because of the scarcity of the literatures on the use of noninteger n-STOs in unaligned coordinate systems,the results for noninteger case have been tested with the limit of integer case,and good agreement has been obtained too.

作者 T.Ozdogan M.Orday 等

机构地区 DepartmentofPhysics

出处《Communications in Theoretical Physics》 SCIE CAS CSCD 2002年第6期711-714,共4页 理论物理通讯（英文版）

关键词量子力学重叠积分整数域非整数域

分类号 O413.1 [理学—理论物理]

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Communications in Theoretical Physics

2002年第6期

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On the Evaluation of Two—Center Overlap Integrals over Integer and Noninteger n—Slater—Type Orbitals

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