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Nonadiabatic effects in electronic and nuclear dynamics

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Nonadiabatic effects in electronic and nuclear dynamics

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Accelerated path integral methods for atomistic simulations at ultra-low temperatures

Probing Entangled States of the Nuclear-Electronic Quantum Magnet LiHoF₄

Accurate molecular dynamics and nuclear quantum effects at low cost by multiple steps in real and imaginary time: Using density functional theory to accelerate wavefunction methods

Nuclear Quantum Effects in Water and Aqueous Systems: Experiment, Theory, and Current Challenges

Nuclear Quantum Effects in Water at the Triple Point: Using Theory as a Link Between Experiments

Communication: On the consistency of approximate quantum dynamics simulation methods for vibrational spectra in the condensed phase

Quantum fluctuations and isotope effects in ab initio descriptions of water

Efficient on-the-fly ab initio semiclassical method for computing time-resolved nonadiabatic electronic spectra with surface hopping or Ehrenfest dynamics

A Quantum Dynamics Study of the Ultrafast Relaxation in a Prototypical Cu(I)-Phenanthroline

Coupled Electronic and Structural Relaxation Pathways in the Postexcitation Dynamics of Rydberg States of BaArN Clusters