| 原子结构计算的进展 |
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| 引用本文： | Charlotte Froese Fischer. 原子结构计算的进展[J]. 复旦学报(自然科学版), 2007, 46(1) |
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| 作者姓名： | Charlotte Froese Fischer |
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| 作者单位： | National Institute |
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| 摘 要： | 1IntroductionThe error in a non-relativistic Hartree-Fock(HF)wavefunctionis due to correlationinthe motion of theelectrons.For this reason,the error in the energy is referred to as the correlation energy.For fewelectronsystems,this correlation can beinclu…
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Advances in Atomic Structure Calculations |
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| Charlotte Froese Fischer. Advances in Atomic Structure Calculations[J]. Journal of Fudan University(Natural Science), 2007, 46(1) |
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| Authors: | Charlotte Froese Fischer |
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| Abstract: | Correlation and relativistic effects are both needed for accurate atomic structure calculations of energy levels and their atomic properties. For transition probabilities of radiative transitions between low-lying levels of an atom or ion, accurate wave functions for the outer region of are required. For lighter atoms, relativistic effects can be included through the Breit-Pauli approximation. This paper outlines the advances in the treatment of correlation and describes the current state of Breit-Pauli calculations for complex systems. |
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| Keywords: | atomic property radiative transition Breit-Pauli calculation |
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