Computation of the Correlated Metal-Insulator Transition in Vanadium Dioxide from First Principles
Computation of the Correlated Metal-Insulator Transition in Vanadium Dioxide from First Principles
Vanadium dioxide (VO2) is a paradigmatic example of a strongly correlated system that undergoes a metal-insulator transition at a structural phase transition. To date, this transition has necessitated significant post hoc adjustments to theory in order to be described properly. Here we report standard state-of-the-art first principles quantum Monte Carlo …