201 citations · 573 across the 19 of their papers we have counts for
3 papers · 1 filter
VS: a Kondo lattice based on intercalation of van der Waals layered transition metal dichalcogenide
Jingjing Niu, Zhilin Li, Sixian Yang +10
Since the discovery of graphene, a tremendous amount of two dimensional (2D) materials have surfaced. Their electronic properties can usually be well understood without considering…
Test set for materials science and engineering with user-friendly graphic tools for error analysis: Systematic benchmark of the numerical and intrinsic errors in state-of-the-art electronic-structure approximations
Igor Ying Zhang, Andrew J. Logsdail, Xinguo Ren +3
Understanding the applicability and limitations of electronic-structure methods needs careful and efficient comparison with accurate reference data. Knowledge of the quality and er…
First-principles calculation of optical responses based on nonorthogonal localized orbitals
Chong Wang, Sibo Zhao, Xiaomi Guo +4
Based on ab initio software packages using nonorthogonal localized orbitals, we develop a general scheme of calculating response functions. We test the performance of this method b…