3 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-el2025
Ab initio calculation of atomic solid hydrogen phases based on Gutzwiller many-body wave functions
Zhuo Ye, Jun Liu, Yong-Xin Yao +3
We apply two ab initio many-body methods based on Gutzwiller wave functions, i.e., correlation matrix renormalization theory (CMRT) and Gutzwiller conjugate gradient minimization (…
cond-mat.str-el2023
Ab initio description of bcc iron with correlation matrix renormalization theory
Jun Liu, Yongxin Yao, Vladimir Antropov +2
We applied the ab initio spin-polarized Correlation Matrix Renormalization Theory (CMRT) to the ferromagnetic state of the bulk BCC iron. We showed that it was capable of reproduci…