181 citations · 222 across the 7 of their papers we have counts for
8 papers
Enabling large language model agents for high-fidelity many-body perturbation theory calculations
Benran Zhang, Byeongchan Lee, Zien Zhu +6
Many-body perturbation theory (MBPT) methods, including the GW approximation, the GW plus Bethe-Salpeter equation (GW-BSE) method, and GW perturbation theory (GWPT), among others,…
Multiple Softening Q-vectors Driving a Cascade of CDW Phases in
Zheng-Hong Li, Yung-Ting Lee, Yu-Chan Tai +8
Charge density wave (CDW) formation in two-dimensional materials is governed by complex competing lattice instabilities that remain incompletely understood. Here, we investigate th…
Many-Body Correlation Effects in Fröhlich Electron-Phonon Coupling
Zien Zhu, Chih-En Hsu, Benran Zhang +5
In compound semiconductors and insulators, the polar electron-phonon coupling diverges at long range, known as the Fröhlich interaction. Modern first-principles electron-phonon cal…
Current direction dependent magnetotransport in CuTe
Ying Kit Tsui, C. N. Kuo, C. E. Hsu +7
Despite being a layered, easily-exfoliated compound, copper monotelluride (CuTe) features an unusual quasi-one-dimensional charge density wave below K. With…
Tomography Scan of Charge Density Wave in NbSe2
Jyun-Yu Wu, Yung-Ting Lee, Guan-Hao Chen +15
Charge density wave (CDW) resulted from a small distortion in the lattice is able to create new orders beyond the original lattice. In 2H-NbSe2, one of the layered transition metal…
First-principles method of propagation of tightly bound excitons: exciton band structure of LiF and verification with inelastic x-ray scattering
Chi-Cheng Lee, Xiaoqian M. Chen, Yu Gan +4
We propose a simple first-principles method to describe propagation of tightly bound excitons. By viewing the exciton as a composite object (an effective Frenkel exciton in Wannier…
Excitonic effects in the optical properties of SiC sheet and nanotubes
H. C. Hsueh, G. Y. Guo, Steven G. Louie
The quasiparticle band structure and optical properties of single-walled zigzag and armchair SiC nanotubes (SiC-NTs) as well as single SiC sheet are investigated by ab initio many-…
Dynamical Linear Response of TDDFT with LDA+U Functional: strongly hybridized Frenkel excitons in NiO
Chi-Cheng Lee, H. C. Hsueh, Wei Ku
Within the framework of time-dependent density-functional theory (TDDFT), we derive the dynamical linear response of LDA+U functional and benchmark it on NiO, a prototypical Mott i…