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相対論的多電子理論の開発

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相対論的多電子理論の開発

Material type
文書・図像類
Author
藪下, 聡ほか
Publisher
-
Publication date
2009
Material Format
Digital
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-
NDC
-
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type:text特に重原子系を含む化学現象における相対論の重要性は、近年かなり明らかになってきた。我々はこれまでスピン軌道(SO)相互作用を含む1成分SCF,MCSCF,CI法を開発してきた。本研究ではこれらの手法をさらに発展させ、遷移モーメントや非断熱相互作用の大規模計算を可能とすることにより、...

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科研費研究者番号 : 50210315

科研費研究者番号 : 40276415

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Digital

Material Type
文書・図像類
Title
相対論的多電子理論の開発
Author/Editor
藪下, 聡
菅原, 道彦
Author Heading
藪下, 聡
菅原, 道彦
Publication Date
2009
Publication Date (W3CDTF)
2009
Alternative Title
ソウタイロンテキ タデンシ リロン ノ カイハツ
Sotaironteki tadenshi riron no kaihatsu
Development of the relativistic theory for electronic states
Periodical title
科学研究費補助金研究成果報告書
Text Language Code
jpn
Subject Heading
相対論,スピン軌道相互作用,SOCI法,非断熱相互作用,ゼロ磁場分裂,ランタノイドイオン,量子干渉効果,交換相互作用