output
20072025
most citedProgress in Time-Dependent Density-Functional Theory

970 citations

researchers with a paper here

Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.

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Showing 2018Show all

2 papers · 1 filter

physics.chem-ph2018★ 12 cited

Effect of Varying the TD-lc-DFTB Range-Separation Parameter on Charge and Energy Transfer in a Model Pentacene/Buckminsterfullerene Heterojunction

Ala Aldin M. H. M. Darghouth, Mark E. Casida, Xi Zhu +6

Density-functional tight binding (DFTB) has become a popular form of approximate density-functional theory (DFT) based upon a minimal valence basis set and neglect of all but two c…

physics.chem-ph2018★ 24 cited

Davydov-Type Excitonic Effects on the Absorption Spectra of Parallel-Stacked and Herringbone Aggregates of Pentacene: Time-Dependent Density-Functional Theory and Time-Dependent Density-Functional Tight Binding

Ala Aldin M. H. M. Darghouth, Gabriela Calinao Correa, Sacha Juillard +3

Exciton formation leads to J-bands in solid pentacene. Describing these exciton bands represents a challenge for both time-dependent (TD) density-functional theory (DFT) and for it…