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OALib Journal期刊
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Ground State Energy Calculations of Isoelectronic Series of He in Double-Zeta Approximation Using Coulomb Potential with Noninteger Indices

Keywords: 31,10,+z,31,25,-v,31,25,Eb
等电子
,能量计算,电势,近似值

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Abstract:

Using formulae for one- and two-electron integrals of Coulomb interaction potential fk (r) = r^-k with non-integer indices k established by one of the authors with the help of complete orthonormal sets of ψ^α-exponential-type orbitals (α = 1, 0,-1,-2,…), we perform the calculations for isoelectronic series of the He atom containing nuclear charges from 2 to 10, where k = 1 - μ (-1 〈 μ 〈 0). For this purpose we have used the double-zeta approximation, the configuration interaction and coupled-cluster methods employing the integer-n Slater-type orbitals as basis sets. It is demonstrated that the results of calculations obtained are better than the numerical Hartree-Fock values.

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