89 citations · 759 across the 34 of their papers we have counts for
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physics.chem-ph2012★ 50 cited
On the Subsystem Formulation of Linear-Response Time-Dependent DFT
Michele Pavanello
A new and thorough derivation of linear-response subsystem time-dependent density functional theory (TD-DFT) is presented and analyzed in detail. Two equivalent derivations are pre…
physics.chem-ph2012★ 89 cited
An Accurate and Linear Scaling Method to Calculate Charge-Transfer Excitation Energies and Diabatic Couplings
Michele Pavanello, Troy Van Voorhis, Lucas Visscher +1
Quantum--Mechanical methods that are both computationally fast and accurate are not yet available for electronic excitations having charge transfer character. In this work, we pres…