6 citations · 16 across the 8 of their papers we have counts for
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cond-mat.mtrl-sci2025
Artificial Symmetry Breaking by Self-Interaction Error
Lin Hou, Cody Woods, Yanyong Wang +7
Symmetry is a cornerstone of quantum mechanics and materials theory, underpinning the classification of electronic states and the emergence of complex phenomena such as magnetism a…
cond-mat.mtrl-sci2024★ 2 cited
How Semilocal Are Semilocal Density Functional Approximations? -Tackling Self-Interaction Error in One-Electron Systems
Akilan Ramasamy, Lin Hou, Jorge Vega Bazantes +4
Self-interaction error (SIE), arising from the imperfect cancellation of the spurious classical Coulomb interaction between an electron and itself, is a persistent challenge in mod…
cond-mat.mtrl-sci2023
Challenges for density functional theory in simulating metal-metal singlet bonding: a case study of dimerized VO2
Yubo Zhang, Da Ke, Junxiong Wu +5
VO2 is renowned for its electric transition from an insulating monoclinic (M1) phase characterized by V-V dimerized structures, to a metallic rutile (R) phase above 340 Kelvin. Thi…