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List of works by Zhen Tao

Analytical Gradients for Nuclear–Electronic Orbital Time-Dependent Density Functional Theory: Excited-State Geometry Optimizations and Adiabatic Excitation Energies

scientific article published on 14 July 2021

Multicomponent density functional theory: Including the density gradient in the electron-proton correlation functional for hydrogen and deuterium

scientific article published on 01 September 2019

Nuclear-electronic orbital Ehrenfest dynamics

scientific article published on 01 December 2020

Nuclear–electronic orbital approach to quantization of protons in periodic electronic structure calculations

scientific article published in 2022

Semiclassical Real-Time Nuclear-Electronic Orbital Dynamics for Molecular Polaritons: Unified Theory of Electronic and Vibrational Strong Couplings

scientific article published on 14 April 2022

Solvated Nuclear–Electronic Orbital Structure and Dynamics

scientific article published on 18 February 2022

Symmetric Post-Transition State Bifurcation Reactions with Berry Pseudomagnetic Fields

scientific article published in 2023

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