Systematic DFT+U and Quantum Monte Carlo Benchmark of Magnetic Two-Dimensional (2D) CrX3 (X = I, Br, Cl, F)
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Efficient world-line-based quantum Monte Carlo method without Hubbard–Stratonovich transformation
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Computational design of two‐dimensional magnetic materials - Miao - 2022 - WIREs Computational Molecular Science - Wiley Online Library
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Relative errors (in %) of V 0 versus B. Each DFT functional is given a
a) Magnetic nearest neighbor superexchange J and onsite easy-axis
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a) Schematic illustration of magneto-optical Kerr and Faraday effects
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