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Investigation on the electronic structure of the actinide dioxide by the relativistic band calculation incorporating the effect of CEF potential.

机译：通过结合CEF势的相对论带计算研究the系元素二氧化物的电子结构。

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2007年度～2009年度科学研究費補助金（基盤研究(Ｃ)）研究成果報告書

机译：2007年度～2009年度科学研究费补助金（基盘研究(Ｃ)）研究成果报告书

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眞榮平孝裕; 堀田貴嗣; Maehira Takahiro; Hotta Takashi;
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年度 2010
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原文格式 PDF
正文语种 jpn
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2. Investigation of the Electronic and Structural Properties of Potassium Hexaboride,KB_6,by Transport,Magnetic Susceptibility,EPR,and NMR Measurements,Temperature-Dependent Crystal Structure Determination,and Electronic Band Structure Calculations [J] . A.Ammar, M.Menetrier, A.Villesuzanne, Inorganic Chemistry: A Research Journal that Includes Bioinorganic, Catalytic, Organometallic, Solid-State, and Synthetic Chemistry and Reaction Dynamics . 2004 ,第16期

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3. Variational incorporation of negative-energy orbitals in relativistic electronic structure calculations [J] . Bunge CF., Jauregui R., Ley-Koo E. International Journal of Quantum Chemistry . 2000 ,第3期

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8. Reliable Electronic Structure Calculations for Heavy Element Chemistry: Molecules Containing Actinides, Lanthanides, and Transition Metals Relativistic Pseudopotentionals in Accurate ab Initio Molecular Electronic Structure Calculations [R] . Marino, M. M. 2005

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Investigation on the electronic structure of the actinide dioxide by the relativistic band calculation incorporating the effect of CEF potential.

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