104 citations · 361 across the 7 of their papers we have counts for
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quant-ph2015
Quantum-Classical Non-Adiabatic Dynamics: Coupled- vs. Independent-Trajectory Methods
Federica Agostini, Seung Kyu Min, Ali Abedi +1
Trajectory-based mixed quantum-classical approaches to coupled electron-nuclear dynamics suffer from well-studied problems such as the lack of (or incorrect account for) decoherenc…
physics.chem-ph2015★ 87 cited
Nuclear velocity perturbation theory for vibrational circular dichroism: An approach based on the exact factorization of the electron-nuclear wave function
Arne Scherrer, Federica Agostini, Daniel Sebastiani +2
The nuclear velocity perturbation theory (NVPT) for vibrational circular dichroism (VCD) is derived from the exact factorization of the electron-nuclear wave function. This new for…