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most citedA first-principles approach to electrical transport in atomic-scale nanostructures

203 citations · 602 across the 8 of their papers we have counts for

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physics.chem-ph2023

RPA, an accurate and fast method for the computation of static non-linear optical properties

Pau Besalú-Sala, Fabien Bruneval, Ángel José Pérez-Jiménez +2

The accurate computation of non-linear optical properties (NLOPs) in large polymers requires accounting for electronic correlation effects with a reasonable computational cost. The…