69 citations · 121 across the 6 of their papers we have counts for
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physics.chem-ph2025
Beyond Born-Oppenheimer Time-Dependent Density Functional Theory
Chen Li, Ryan Requist, E. K. U. Gross
We formulate a time-dependent density functional theory for the coupled dynamics of electrons and nuclei that goes beyond the Born-Oppenheimer (BO) approximation. We prove that the…
physics.chem-ph2019★ 33 cited
Energy, Momentum and Angular Momentum Transfer Between Electrons and Nuclei
Chen Li, Ryan Requist, E. K. U. Gross
The recently developed exact factorization approach condenses all electronic effects on the nuclear subsystem into scalar and vector potentials that appear in an effective time dep…
physics.chem-ph2016★ 69 cited
Exact factorization-based density functional theory of electrons and nuclei
Ryan Requist, E. K. U. Gross
The ground state energy of a system of electrons and nuclei is proven to be a variational functional of the conditional electronic density , the nuclear wavefuncti…