9 citations · 25 across the 9 of their papers we have counts for
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physics.chem-ph2018★ 9 cited
Theoretical insights into the topology of molecular excitons from single-reference excited states calculation methods
Thibaud Etienne
This chapter gives an introduction to qualitative and quantitative topological analyses of molecular electronic transitions. Among the possibilities for qualitatively describing ho…
physics.chem-ph2018★ 6 cited
Charge separation: From the topology of molecular electronic transitions to the dye/semiconductor interfacial energetics and kinetics
Thibaud Etienne, Mariachiara Pastore
Charge separation properties, that is the ability of a chromophore, or a chromophore/semiconductor interface, to separate charges upon light absorption, are crucial characteristics…
physics.chem-ph2018★ 6 cited
A comprehensive, self-contained derivation of the one-body density matrices from single-reference excited-state calculation methods using the equation-of-motion formalism
Thibaud Etienne
In this contribution we review in a rigorous, yet comprehensive fashion the assessment of the one-body reduced density matrices derived from the most used single-reference excited-…