9 citations · 9 across the 4 of their papers we have counts for
4 papers
Developing correlation-consistent numeric atom-centered orbital basis sets for Krypton: Applications in RPA-based correlated calculations
Sixian Yang, Igor Ying Zhang, Xinguo Ren
Localized atomic orbitals are the preferred basis-set choice for large-scale explicit correlated calculations, and high-quality hierarchical correlation-consistent basis sets are a…
Basis-set-error-free RPA correlation energies for atoms based on the Sternheimer equation
Hao Peng, Sixian Yang, Hong Jiang +2
The finite basis set errors for all-electron random-phase approximation (RPA) correlation energy calculations are analyzed for isolated atomic systems. We show that, within the res…
Phase Stability of the Argon Crystal: A First-Principles Study Based on Random Phase Approximation plus Renormalized Single Excitation Corrections
Sixian Yang, Xinguo Ren
The energy differences between the face-centered cubic (FCC) and hexagonal closed packed (HCP) structures of the argon (Ar) crystal are studied using the first-principles electroni…
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…