密度汎関数理論
(密度汎関数法 から転送)
出典: フリー百科事典『ウィキペディア(Wikipedia)』 (2023/06/02 01:28 UTC 版)
密度汎関数理論(みつどはんかんすうりろん、英: density functional theory、略称: DFT)は電子系のエネルギーなどの物性を電子密度から計算することが可能であるとする理論である。また密度汎関数法(みつどはんかんすうほう)は密度汎関数理論に基づく電子状態計算法である。
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