52 citations · 105 across the 9 of their papers we have counts for
9 papers
High-performance linear-scaling electronic structure method via chromatic superposition states
Zhikang Jiang, Zhizhi Xiao, Mingfa Tang +4
We introduce a high-performance linear-scaling electronic structure method that employs chromatic superposition states (CSS) as a low-dimensional, high-fidelity representation, whi…
Nonequilibrium mean-field approach for quantum transport with off-diagonal disorder
Rongjie Cui, Zelei Zhang, Qi Wei +2
For the nanoscale structures, disorder scattering plays a vital role in the carriers' transport, including electrons and high-frequency phonons. The capability for effectively trea…
Implementation of full-potential screened spherical wave based muffin-tin orbital for all-electron density functional theory
Aixia Zhang, Qingyun Zhang, Zhiyi Chen +2
Screened spherical wave (SSW) of the Hankel function features the complete, minimal and short-ranged basis set, presenting a compact representation for electronic systems. In this…
Auxiliary dynamical mean-field approach for Anderson-Hubbard model with off-diagonal disorder
Zelei Zhang, Jiawei Yan, Li Huang +1
This work reports a theoretical framework that combines the auxiliary coherent potential approximation (ACPA-DMFT) with dynamical mean-field theory to study strongly correlated and…
Random Green's function method for large-scale electronic structure calculation
Mingfa Tang, Chang Liu, Aixia Zhang +3
We report a linear-scaling random Green's function (rGF) method for large-scale electronic structure calculation. In this method, the rGF is defined on a set of random states to st…
Tunable Giant Rashba-type Spin Splitting in PtSe/MoSe Heterostructure
Longjun Xiang, Youqi Ke, Qingyun Zhang
We report a giant Rashba-type spin splitting in two-dimensional heterostructure PtSe/MoSe with first-principles calculations. We obtain a large value of spin splitting ener…