123 citations · 824 across the 17 of their papers we have counts for
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physics.chem-ph2018★ 74 cited
On the identity of the identity operator in nonadiabatic linearized semiclassical dynamics
Maximilian A. C. Saller, Aaron Kelly, Jeremy O. Richardson
Simulating the nonadiabatic dynamics of condensed-phase systems continues to pose a significant challenge for quantum dynamics methods. Approaches based on sampling classical traje…
cond-mat.mes-hall2018★ 13 cited
Nonadiabatic \textit{ab initio} Quantum Dynamics without Potential Energy Surfaces
Guillermo Albareda, Aaron Kelly, Angel Rubio
We present an efficient \textit{ab initio} algorithm for quantum dynamics simulations of interacting systems that is based on the conditional decomposition of the many-body wavefun…