Orthogonalized Slater Orbitals Formed with Atomic Screening Constants
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概要
- 論文の詳細を見る
The atomic screening constants appropriate for the modified Slater orbitals are proposed. These constants are chosen under the orthogonality conditions ∫^∞_0P_<nl>(r)dr=0, where P_<nl>(r) is the radial part of the wave function ψ_<nlm>=N_<nl>Y_<lm>(θ,ψ)r^<-1>P_<nl>(r) and is assumed to be the minimal combination of the Slater type orbitals; P_<nl>(r)=Σ^^<n-l-1>__<i=0a^<nl>_<i>(-1)^ir^<n-i>exp[-{Z-S_<(n-i)l>}r/n]. Some of the ground state orbitals are compared with other different approximations.
- 社団法人日本物理学会の論文
- 1975-10-15
著者
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SHIBUYA Motoichi
Department of Physics,Faculty of Science,Shizuoka University
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Shibuya Motoichi
Department Of Physics Faculty Of Science Shizuoka University
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Kozima Hideo
Department Of Physics Faculty Of Science Shizuoka University
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Kozima Hideo
Department Of Physics And Astronomy The University Of Iowa
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