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首页> 外文期刊>Journal of the Chilean Chemical Society >UNIFIED TREATMENT OF ONE- AND TWO-CENTER ONE-RANGE ADDITION THEOREMS FOR COMPLETE ORTHONORMAL SETS OF SELF-FRICTIONAL EXPONENTIAL TYPE ORBITALS AND NONINTEGER n SLATER FUNCTIONS
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UNIFIED TREATMENT OF ONE- AND TWO-CENTER ONE-RANGE ADDITION THEOREMS FOR COMPLETE ORTHONORMAL SETS OF SELF-FRICTIONAL EXPONENTIAL TYPE ORBITALS AND NONINTEGER n SLATER FUNCTIONS

机译:自摩擦指数型轨道和非整数n函数的完全正交集的一中心和二中心一范围定理的统一处理

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Using L(α*) -self-frictional Laguerre polynomials (L(α*) -SFLPs) introduced by the author in standard convention, the combined theory of one- and two-center one-range addition theorems for complete orthonormal sets of ψ(α*) -self-frictional exponential type orbitals (ψ(α*) -SFETOs) and χ -noninteger n Slater type orbitals ( -NISTOs) in terms of χ -integer n STOs (χ -ISTOs) is established, where α* are the integer (α* = α, −∞ α ≤ 2) or noninteger (α* ≠ α, −∞ α 3) SF quantum numbers. The expansion coefficients of these one-range addition theorems are expressed through the overlap integrals of χ -NISTOs.
机译:使用作者在标准约定中引入的L(α*)-自摩擦Laguerre多项式(L(α*)-SFLPs),对ψ的完整正交集进行一中心和二中心一范围加法定理的组合理论(α*)-自摩擦指数型轨道(ψ(α*)-SFETOs)和χ-非整数n斯拉特型轨道(-NISTOs)以χ-整数n STO(χ-ISTOs)表示,其中α *是整数(α* =α,-∞<α≤2)或非整数(α*≠α,-∞<α<3)SF量子数。这些一阶加法定理的展开系数通过χ-NISTO的重叠积分表示。

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