89 citations · 713 across the 40 of their papers we have counts for
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Effective Coulomb interaction in actinides from linear response approach
Ruizhi Qiu, Bingyun Ao, Li Huang
The effective on-site Coulomb interaction (Hubbard ) between 5 electrons in actinide metals (Th-Cf) is calculated with the framework of density-functional theory (DFT) using…
Itinerant-localized crossover and orbital dependent correlations for 4 electrons in cerium-based ternary 122 compounds
Haiyan Lu, Li Huang
The electronic structures of cerium-based ternary 122 compounds CeSi, where Ru, Rh, Pd, and Ag, are investigated systematically by using the density functional t…
Pressure-Driven 5 Localized-Itinerant Transition and Valence Fluctuation in Californium
Li Huang, Haiyan Lu
A combination of the density functional theory and the single-site dynamical mean-field theory is employed to study the pressure dependence of electronic structure for cubic phase…
Electronic structure of cerium: A comprehensive first-principles study
Li Huang, Haiyan Lu
Cerium, in which the 4 valence electrons live at the brink between localized and itinerant characters, exhibits varying crystal structures and therefore anomalous physical prope…
Natural Orbital-Based Lanczos Method for Anderson Impurity Models
Sheng Bi, Li Huang, Ning-Hua Tong
We implement the Lanczos algorithm on natural orbital basis to solve the zero-temperature Green's function of Anderson impurity models, following the work of Y. Lu, M. Höppner, O.…