145 citations · 579 across the 30 of their papers we have counts for
4 papers · 1 filter
On the Calculation of IR Spectra with a Fully Polarizable QM/MM Approach Based on Fluctuating Charges and Fluctuating Dipoles
Tommaso Giovannini, Laura Grazioli, Matteo Ambrosetti +1
The fully polarizable QM/MM approach based on fluctuating charges and fluctuating dipoles, named QM/FQFμ (J. Chem. Theory Comput. 2019, 15, 2233-2245), is extended to the evaluatio…
Electronic Transitions for a Fully Polarizable QM/MM Approach Based on Fluctuating Charges and Fluctuating Dipoles: Linear and Corrected Linear Response Regimes
Tommaso Giovannini, Rosario Roberto Riso, Matteo Ambrosetti +2
Fully polarizable QM/MM approach based on fluctuating charges and fluctuating dipoles, named QM/FQFμ (J. Chem. Theory Comput. 2019, 15 2233-2245), is extended to the calculation of…
A classical picture of subnanometer junctions: an atomistic Drude approach to nanoplasmonics
Tommaso Giovannini, Marta Rosa, Stefano Corni +1
The description of optical properties of subnanometer junctions is particularly challenging. Purely classical approaches fail, because the quantum nature of electrons needs to be c…
Fully Polarizable QM/Fluctuating Charge Approach to Two-Photon Absorption of Aqueous Solutions
Roberto Di Remigio, Tommaso Giovannini, Matteo Ambrosetti +2
We present the extension of the quantum/classical polarizable fluctuating charge model to the calculation of single residues of quadratic response functions, as required for the co…