75 citations · 152 across the 3 of their papers we have counts for
6 papers
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…
Vibrational Investigation of Nucleobases by Means of Divide and Conquer Semiclassical Dynamics
Fabio Gabas, Giovanni Di Liberto, Michele Ceotto
In this work we report a computational study of the vibrational features of four different nucleobases employing the divide-and-conquer semiclassical initial value representation m…
A quantum mechanical insight into SN2 reactions: Semiclassical initial value representation calculations of vibrational features of the Cl--CHCl pre-reaction complex with the VENUS suite of codes
X. Ma, G. Di Liberto, R. Conte +2
The role of vibrational excitation of reactants in driving reactions involving polyatomic species has been often studied by means of classical or quasi-classical trajectory simulat…
'Divide-and-conquer' semiclassical molecular dynamics: An application to water clusters
Giovanni Di Liberto, Riccardo Conte, Michele Ceotto
We present an investigation of vibrational features in water clusters performed by means of our recently established divide-and-conquer semiclassical approach [M. Ceotto, G. Di Lib…
"Divide and Conquer" Semiclassical Molecular Dynamics: A practical method for Spectroscopic calculations of High Dimensional Molecular Systems
Giovanni Di Liberto, Riccardo Conte, Michele Ceotto
We extensively describe our recently established "divide-and-conquer" semiclassical method [M. Ceotto, G. Di Liberto and R. Conte, Phys. Rev. Lett. 119, 010401 (2017)] and propose…
Semiclassical "Divide-and-Conquer" Method for Spectroscopic Calculations of High Dimensional Molecular Systems
Michele Ceotto, Giovanni Di Liberto, Riccardo Conte
A new semiclassical "divide-and-conquer" method is presented with the aim of demonstrating that quantum dynamics simulations of high dimensional molecular systems are doable. The m…