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On the Evaluation Overlap Integrals with the Same and Different Screening Parameters Over Slater Type Orbitals via the Fourier-Transform Method

On the Evaluation Overlap Integrals with the Same and Different ScreeningParameters Over Slater Type Orbitals via the Fourier-Transform Method
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摘要 In this paper, derivation of analytical expressions for overlap integrals with the same and different screening parameters of Slater type orbitals (STOs) via the Fourier-transform method is presented. Consequently, it is relatively easy to express the Fourier integral representations of the overlap integrals with same and different screening parameters mentioned as finite sums of Gegenbauer, Gaunt, binomial coefficients, and STOs. In this paper, derivation of analytical expressions for overlap integralswith the same and different screening - parameters of Slater type orbitals (STOs) via theFourier-transform method is presented. Consequently, it is relatively easy to express the Fourierintegral representations of the overlap integrals with same and different screening parametersmentioned as finite sums of Gegenbauer, Gaunt, binomial coefficients, and STOs.
机构地区 DepartmentofPhysics
出处 《Communications in Theoretical Physics》 SCIE CAS CSCD 2005年第1期151-158,共8页 理论物理通讯(英文版)
关键词 重叠积分 Gegenbauer多项式 多通道分子 傅里叶变换 电子轨道 overlap integrals gegenbauer polynomials slater type orbitals
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