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

2 引文 斯高帕斯(Scopus)

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Keyphrases

Chemistry

Physics