21 citations · 33 across the 4 of their papers we have counts for
4 papers
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…
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)…
Comparative study of first-principles approaches for effective Coulomb interaction strength between localized -electrons: lanthanide metals as an example
Bei-Lei Liu, Yue-Chao Wang, Yu Liu +6
As correlation strength has a key influence on the simulation of strongly correlated materials, many approaches have been proposed to obtain the parameter using first-principles ca…
The underestimation of high pressure in DFT+ simulation for the wide range cold-pressure of lanthanide metals
Yue-Chao Wang, Bei-Lei Liu, Yu Liu +7
Density functional theory plus (DFT+) is one of the most efficient first-principles methods to simulate the cold pressure properties of strongly-correlated materials. Howeve…