169 citations · 771 across the 29 of their papers we have counts for
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physics.chem-ph2020★ 24 cited
Representing Molecular Ground and Excited Vibrational Eigenstates with Nuclear Densities obtained from Semiclassical Initial Value Representation Molecular Dynamics
Chiara Aieta, Gianluca Bertaina, Marco Micciarelli +1
We present in detail and validate an effective Monte Carlo approach for the calculation of the nuclear vibrational densities via integration of molecular eigenfunctions that we hav…
physics.chem-ph2019★ 32 cited
Reduced Rovibrational Coupling Cartesian Dynamics for Semiclassical Calculations: Application to the Spectrum of the Zundel Cation
Gianluca Bertaina, Giovanni Di Liberto, Michele Ceotto
We study the vibrational spectrum of the protonated water dimer, by means of a divide-and-conquer semiclassical initial value representation of the quantum propagator, as a first s…