105 citations · 300 across the 10 of their papers we have counts for
Showing 2022Show all
3 papers · 1 filter
physics.chem-ph2022
Symmetric Post-Transition-State Bifurcation Reactions with Berry Pseudo-Magnetic Fields
Zhen Tao, Tian Qiu, Joseph E. Subotnik
We investigate how the Berry force (i.e. the pseudo-magnetic force operating on nuclei as induced by electronic degeneracy and spin-orbit coupling (SOC)) might modify a post-transi…
physics.comp-ph2022★ 17 cited
Nuclear-Electronic Orbital Approach to Quantization of Protons in Periodic Electronic Structure Calculations
Jianhang Xu, Ruiyi Zhou, Zhen Tao +4
The nuclear-electronic orbital (NEO) method is a well-established approach for treating nuclei quantum mechanically in molecular systems beyond the usual Born-Oppenheimer approxima…
physics.chem-ph2022★ 38 cited
Semiclassical Real-Time Nuclear-Electronic Orbital Dynamics for Molecular Polaritons: Unified Theory of Electronic and Vibrational Strong Couplings
Tao E. Li, Zhen Tao, Sharon Hammes-Schiffer
Molecular polaritons have become an emerging platform for remotely controlling molecular properties through strong light-matter interactions. Herein, a semiclassical approach is de…