Tianyu Zhu

most citedEfficient Implementation of Ab Initio Quantum Embedding in Periodic Systems: Density Matrix Embedding Theory

150 citations · 222 across the 2 of their papers we have counts for

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cond-mat.mtrl-sci2020★ 72 cited

All-electron Gaussian-based $G_{0} W_{0}$ for Valence and Core Excitation Energies of Periodic Systems

Tianyu Zhu, Garnet Kin-Lic Chan

We describe an all-electron $G_{0} W_{0}$ implementation for periodic systems with $k$ -point sampling implemented in a crystalline Gaussian basis. Our full-frequency $G_{0} W_{0}$ method rel…

All-electron Gaussian-based G0​W0​ for Valence and Core Excitation Energies of Periodic Systems

All-electron Gaussian-based $G_{0} W_{0}$ for Valence and Core Excitation Energies of Periodic Systems