83 citations · 237 across the 4 of their papers we have counts for
4 papers
"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…
Application of the Mixed Time-averaging Semiclassical Initial Value Representation method to Complex Molecular Spectra
Max Buchholz, Frank Grossmann, Michele Ceotto
The recently introduced mixed time-averaging semiclassical initial value representation molecular dynamics method for spectroscopic calculations [M. Buchholz, F. Grossmann, and M.…
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…
First-Principles Semiclassical Initial Value Representation Molecular Dynamics
Michele Ceotto, Sule Atahan, Sangwoo Shim +2
A method for carrying out semiclassical initial value representation calculations using first-principles molecular dynamics (FP-SC-IVR) is presented. This method can extract the fu…