Bohan Jia

collaborators

2 papers

cond-mat.mtrl-sci2026

$G^{0} W^{0}$ implementation based on the pseudopotential and numerical-atomic-orbital basis-set framework: Algorithms and benchmarks

Huanjing Gong, Min-Ye Zhang, Peize Lin +4

The $G W$ method delivers substantially improved accuracy in electronic band structure calculations over conventional Kohn-Sham density functional theory (KS-DFT) by explicitly inco…

cond-mat.mtrl-sci2026

All-electron Quasiparticle Self-consistent GW for Molecules and Periodic Systems within the Numerical Atomic Orbital Framework

Bohan Jia, Min-Ye Zhang, Ziqing Guan +2

We report an all-electron implementation of the quasiparticle self-consistent GW (QSGW) method for molecular and periodic systems within the framework of numerical atomic orbitals…

G0W0 implementation based on the pseudopotential and numerical-atomic-orbital basis-set framework: Algorithms and benchmarks

All-electron Quasiparticle Self-consistent GW for Molecules and Periodic Systems within the Numerical Atomic Orbital Framework

$G^{0} W^{0}$ implementation based on the pseudopotential and numerical-atomic-orbital basis-set framework: Algorithms and benchmarks