activity
20192022
most citedElectronic Transitions for a Fully Polarizable QM/MM Approach Based on Fluctuating Charges and Fluctuating Dipoles: Linear and Corrected Linear Response Regimes

50 citations · 291 across the 8 of their papers we have counts for

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Showing 2020Show all

2 papers · 1 filter

physics.chem-ph2020★ 41 cited

Multilevel Density Functional Theory

Gioia Marrazzini, Tommaso Giovannini, Marco Scavino +3

We introduce a novel density-based multilevel approach in density functional theory. In this multilevel density functional theory (MLDFT), the system is partitioned in an active an…

cond-mat.mes-hall2020★ 27 cited

Graphene Plasmonics: a Novel Fully Atomistic Approach for Realistic Structures

Tommaso Giovannini, Luca Bonatti, Marco Polini +1

We demonstrate that the plasmonic properties of realistic graphene and graphene-based materials can effectively and accurately be modeled by a novel, fully atomistic, yet classical…