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  1. Systematic Improvement of Quantum Monte Carlo Calculations in Transition Metal Oxides: sCI-Driven Wavefunction Optimization for Reliable Band Gap prediction
    2024/03/06 by Hyeondeok Shin, Shin, Hyeondeok, Kevin Gasperich +9 · 1 citation
    Engineering · #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #Semiconductor materials and devices