205 citations · 1.3k across the 43 of their papers we have counts for
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On the Role of Charge Transfer Excitations in Non-Fullerene Acceptors for Organic Photovoltaics
Samuele Giannini, Daniel J. C. Sowood, Jesus Cerda +11
Through the development of new non-fullerene electron acceptor (NFA) materials, such as Y6 and its molecular derivatives, the power conversion efficiencies of organic photovoltaics…
Many-body calculations with very large scale polarizable environments made affordable: a fully ab initio QM/QM approach
David Amblard, Xavier Blase, Ivan Duchemin
We present a many-body formalism for quantum subsystems embedded in discrete polarizable environments containing up to several hundred thousand atoms described at a fully ab i…
Computing photoionization spectra in Gaussian basis sets
Ivan Duchemin, Antoine Levitt
We present a method to compute the photoionization spectra of atoms and molecules in linear response time-dependent density functional theory. The electronic orbital variations cor…