The subtlety of resolving orbital angular momenta in calculating Hubbard U parameters in the density functional tight-binding theory and its delicacy is illustrated by the calculated magnetic properties of carbon clusters
T. W. Yen, S. K. Lai
研究成果: 雜誌貢獻 › 期刊論文 › 同行評審
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引文
斯高帕斯(Scopus)