most citedBackbone and shortest-path exponents of the two-dimensional -state Potts model

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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…