Yunlong Xiao

Making four- and two-component relativistic density functional methods fully equivalent based on the idea of “from atoms to molecule”

Daoling Peng, Wenjian Liu, Yunlong Xiao et al. · The Journal of Chemical Physics · 2007 · 265 citations

BDF: A relativistic electronic structure program package

Yong Zhang, Bingbing Suo, Zikuan Wang et al. · The Journal of Chemical Physics · 2020 · 219 citations

Engineering, Computational Chemistry, Strongly Correlated Electron Systems +16

On the spin separation of algebraic two-component relativistic Hamiltonians

Zhendong Li, Yunlong Xiao, Wenjian Liu · The Journal of Chemical Physics · 2012 · 178 citations

Spectral Theory, Quantum Science, Relativistic Hamiltonian +9

Sorption of heavy metal ions onto crayfish shell biochar: Effect of pyrolysis temperature, pH and ionic strength

Yunlong Xiao, Yingwen Xue, Fei Gao et al. · Journal of the Taiwan Institute of Chemical Engineers · 2017 · 138 citations

Heavy Metal Ions, Environmental Chemistry, Biochar +8

Time-dependent four-component relativistic density-functional theory for excitation energies. II. The exchange-correlation kernel

Jun Gao, Wenli Zou, Wenjian Liu et al. · The Journal of Chemical Physics · 2005 · 118 citations · Full text

Localized Excited State, Engineering, Excitation Energy Transfer +18