Zhen Tao
0000-0003-0511-7665
8 papers found
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Solvated Nuclear–Electronic Orbital Structure and Dynamics
Direct Dynamics with Nuclear–Electronic Orbital Density Functional Theory
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
Analytical Gradients for Nuclear–Electronic Orbital Time-Dependent Density Functional Theory: Excited-State Geometry Optimizations and Adiabatic Excitation Energies
Multicomponent Coupled Cluster Singles and Doubles with Density Fitting: Protonated Water Tetramers with Quantized Protons
Transition states, reaction paths, and thermochemistry using the nuclear–electronic orbital analytic Hessian
Nuclear–electronic orbital Ehrenfest dynamics
Multicomponent density functional theory: Including the density gradient in the electron-proton correlation functional for hydrogen and deuterium
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