123 citations · 1.7k across the 69 of their papers we have counts for
5 papers · 1 filter
Gutzwiller Renormalization Group
Nicola Lanatà, Yong-Xin Yao, Xiaoyu Deng +3
We develop a variational scheme called "Gutzwiller renormalization group" (GRG), which enables us to calculate the ground state of Anderson impurity models (AIM) with arbitrary num…
Structures and magnetic properties of Co-Zr-B magnets studied by first-principles calculations
Xin Zhao, Liqin Ke, Manh Cuong Nguyen +2
The structures and magnetic properties of the Co-Zr-B alloys near the Co5Zr composition were studied using adaptive genetic algorithm and first-principles calculations to guide fur…
Exploration of tetrahedral structures in silicate cathodes using a motif-network scheme
Xin Zhao, Shunqing Wu, Xiaobao Lv +5
Using a motif-network search scheme, we studied the tetrahedral structures of the dilithium/disodium transition metal orthosilicates A2MSiO4 with A = Li or Na and M = Mn, Fe or Co.…
A coefficient average approximation towards Gutzwiller wavefunction formalism
Jun Liu, Yongxin Yao, Cai-Zhuang Wang +1
Gutzwiller wavefunction is a physically well motivated trial wavefunction for describing correlated electron systems. In this work, a new approximation is introduced to facilitate…
Unconventional phase selection in high-driven systems: A complex metastable structure prevails over simple stable phases
Zhuo Ye, Feng Zhang, Yang Sun +9
Phase selection in deeply undercooled liquids and devitrified glasses during heating involves complex interplay between the barriers to nucleation and the ability for these nuclei…