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cond-mat.str-el2026
Systematic dynamical mean-field theory study of 3d perovskite oxides with uniform Coulomb interactions
Antik Sihi, Caden Ginter, Kristjan Haule +1
Strongly correlated transition-metal perovskite oxides pose a fundamental challenge for electronic-structure theory and for large-scale, data-driven materials discovery. While DFT+…
cond-mat.str-el2026
Self-Consistent Coulomb Interactions from Constrained Dynamical Mean-Field Theory
Antik Sihi, Subhasish Mandal, Kristjan Haule
We develop a self-consistent first-principles framework for determining the screened Coulomb interaction strength (U) based on constrained dynamical mean-field theory (cDMFT). Unli…