Application of the Soft-core Type Pseudopotential to Magnetic Systems
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概要
- 論文の詳細を見る
Structural and magnetic properties of ferromagnetic iron are computed using a plane-wave basis set and optimized pseudopotentials to study the effectiveness of these methods for magnetic systems. Although the pseudowave functions deviate significantly from the all-electron wave functions, the calculated properties are in excellent agreement with the results from all-electron and localized-orbital pseudopotential calculations. This study shows that these pseudopotentials yield accurate results for magnetic systems.pseudopotentialmagnetic systemdensity-functional theorycohesive properties
- 東北大学の論文
- 1994-03-25
著者
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SASAKI Taizo
Department of Physics,Tohoku University
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Louie Steven
Department Of Physics University Of California:materials Sciences Division Lawrence Berkeley Nationa
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Louie Steven
Department Of Physics University Of California At Berkeley:materials Sciences Division Lawrence Berk
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Louie Steven
Department Of Microbiogy The University Of Iowa
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Sasaki Taizo
Department Of Physics College Of General Education:institute Of Science And Technology University Of
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Sasaki Taizo
Department Of Physics University Of California At Berkeley:materials Sciences Division Lawrence Berk
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Rappe Andrew
Department of Physics, University of California at Berkeley
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Rappe Andrew
Department Of Physics University Of California At Berkeley:materials Sciences Division Lawrence Berk
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