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

Research output: Contribution to journal › Article › peer-review

2 Scopus citations

Fingerprint

Dive into the research topics of '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'. Together they form a unique fingerprint.

Chemical Compounds

Physics & Astronomy