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Utsumi, Takayuki; Sasaki, Akira
Japan Atomic Energy Research Inst., Tokyo (Japan)2000
Japan Atomic Energy Research Inst., Tokyo (Japan)2000
AbstractAbstract
[en] The procedures of grasp92 code to calculate accurate (relative error nearly equal 10-7) eigenvalue for the ground sate of helium atom of the Dirac-Coulomb Hamiltonian are presented. The grasp92 code, based on the multi-configuration Dirac-Fock method, is widely used to calculate the atomic properties. However, the main part of the accurate calculations, extended optimal level calculation (EOL), suffer frequently numerical instabilities due to the lack of the confident procedures. The purpose of this report is to illustrate the guideline for stable EOL calculations by calculating the most fundamental atomic system, i.e. the ground sate of helium atom ls21S2. This procedure could be extended for the high-precise eigenfunction calculation of more complex atomic systems, for example highly ionized atoms and high-Z atoms. (author)
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Feb 2000; 38 p; 14 refs., 5 figs., 5 tabs.
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