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第一原理O(N)計算プログラムCONQUESTにおける局在軌道の最適化手法の開発と固有状態計算
(Efficient optimization of local orbitals and eigenstate calculations in linear-scaling DFT code CONQUEST)

中田 彩子, ボウラー デービット, 二村保徳, 櫻井鉄也, 宮崎 剛.
Total Energy and Force Methods. January 15, 2015-January 17, 2015.

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    Created at: 2017-02-14 11:03:54 +0900Updated at: 2017-07-10 22:03:31 +0900

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