Systematic DFT+U and Quantum Monte Carlo Benchmark of Magnetic Two-Dimensional (2D) CrX3 (X = I, Br, Cl, F)

Systematic DFT+U and Quantum Monte Carlo Benchmark of Magnetic Two- Dimensional (2D) CrX3 (X = I, Br, Cl, F)

DMC energies of rocksalt (RS), wurtzite (WZ), and zincblende (ZB)

Figure S4: DMC calculated total energies of a 16-atom supercell

PDF] A pathway toward high-throughput quantum Monte Carlo simulations for alloys: A case study of two-dimensional (2D) GaSxSe1-x.

Two-dimensional MAE density MAE(E v , E c ) of Eq. 3 for FeCl 2 .

a) Magnetic nearest neighbor superexchange J and onsite easy-axis

a) Schematic illustration of magneto-optical Kerr and Faraday effects

Efficient world-line-based quantum Monte Carlo method without Hubbard–Stratonovich transformation

PDF] Predicting anomalous quantum confinement effect in van der Waals materials

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