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cond-mat.str-el2025
Metal-Insulator Transition described by Natural Orbital Functional Theory
Juan Felipe Huan Lew-Yee, Mario Piris
The metal-insulator transition (MIT) is a fundamental phenomenon in condensed matter physics and a hallmark of strong electronic correlations. Hydrogen-based systems offer a simple…
cond-mat.str-el2024★ 1 cited
Advancing Natural Orbital Functional Calculations Through Deep Learning-Inspired Techniques for Large-Scale Strongly Correlated Electron Systems
Juan Felipe Huan Lew-Yee, Jorge M. del Campo, Mario Piris
Natural orbital functional (NOF) theory offers a promising approach for studying strongly correlated systems at an affordable computational cost, with an accuracy comparable to hig…