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cond-mat.str-el2024
Self-consistent pressure-dependent on-site Coulomb correction for zero-temperature equations of state of -electron metals
Bei-Lei Liu, Yue-Chao Wang, Xing-Yu Gao +2
The -electron materials have many unique properties under pressure, thus of great interest in high-pressure physics and related industrial fields. However, the -electrons pos…
cond-mat.str-el2023★ 11 cited
Doubly screened Coulomb correction approach for strongly correlated systems
Bei-Lei Liu, Yue-Chao Wang, Yu Liu +2
Strongly correlated systems containing d/f-electrons present a challenge to conventional density functional theory (DFT), such as the widely used local density approximation (LDA)…