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-expo...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.展开更多
文摘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.
