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quant-ph2023★ 1 cited
Long Lived Electronic Coherences in Molecular Wave Packets Probed with Pulse Shape Spectroscopy
Brian Kaufman, Philipp Marquetand, Tamas Rozgonyi +1
We explore long lived electronic coherences in molecules using shaped ultrafast laser pulses to launch and probe entangled nuclear-electronic wave packets. We find that under certa…
physics.chem-ph2023
Transferability of atomic energies from alchemical decomposition
Michael J. Sahre, Guido Falk von Rudorff, Philipp Marquetand +1
We study alchemical atomic energy partitioning as a method to estimate atomisation energies from atomic contributions which are defined in physically rigorous and general ways thro…