21 citations · 27 across the 3 of their papers we have counts for
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physics.chem-ph2024
All-electron BSE@GW method with Numeric Atom-Centered Orbitals for Extended Systems
Ruiyi Zhou, Yi Yao, Volker Blum +2
Green's function theory has emerged as a powerful many-body approach not only in condensed matter physics but also in quantum chemistry in recent years. We have developed a new all…
physics.chem-ph2023
First-Principles Approach for Coupled Quantum Dynamics of Electrons and Protons in Heterogeneous Systems
Jianhang Xu, Ruiyi Zhou, Tao E. Li +3
The coupled quantum dynamics of electrons and protons is ubiquitous in many dynamical processes involving light-matter interaction, such as solar energy conversion in chemical syst…
physics.chem-ph2021
Localized resolution of identity approach to the analytical gradients of random-phase approximation ground-state energy: algorithm and benchmarks
Muhammad N. Tahir, Tong Zhu, Honghui Shang +3
We develop and implement a formalism which enables calculating the analytical gradients of particle-hole random-phase approximation (RPA) ground-state energy with respect to the at…