2 papers
cond-mat.str-el2025
Pressure-Induced B1 to B2 Phase Transition in CeN Studied by ab initio Correlation Matrix Renormalization Theory Calculations
Jun Liu, Jianhua Zhang, Yongxin Yao +2
We apply correlation matrix renormalization theory (CMRT) to cerium nitride (CeN) under pressure. For B1 (NaCl-type) phase, CMRT gives an equation of state consistent with ambient…
cond-mat.str-el2014
Efficient and accurate treatment of electron correlations from first-principles
Y. X. Yao, J. Liu, C. Liu +3
We present an efficient \textit{ab initio} method for calculating the electronic structure and total energy of strongly correlated electron systems. The method extends the traditio…