23 citations · 49 across the 6 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…
Orbital-Free Density-Functional Theory Simulations of Displacement Cascade in Aluminum
Ruizhi Qiu
Here, we report orbital-free density-functional theory (OF DFT) molecular dynamics simulations of the displacement cascade in aluminum. The electronic effect is our main concern. T…
Energetics of point defects in aluminum via orbital-free density functional theory
Ruizhi Qiu, Haiyan Lu, Bingyun Ao +3
The formation and migration energies for various point defects, including vacancies and self-interstitials in aluminum are reinvestigated systematically using the supercell approxi…
Density-functional study of plutonium monoxide monohydride
Ruizhi Qiu, Haiyan Lu, Bingyun Ao +2
The structural, electronic, mechanical, optical, thermodynamic properties of plutonium monoxide monohydride (PuOH) are studied by density-functional calculations within the framewo…