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20072026
most citedProgress in Time-Dependent Density-Functional Theory

970 citations

Showing 2018Show all

5 papers · 1 filter

cs.CR2018★ 178 cited

The Long Road to Computational Location Privacy: A Survey

Primault Vincent, Boutet Antoine, Ben Mokhtar Sonia +1

The widespread adoption of continuously connected smartphones and tablets developed the usage of mobile applications, among which many use location to provide geolocated services.…

cs.SI2018★ 8 cited

The closed loop between opinion formation and personalised recommendations

Wilbert Samuel Rossi, Jan Willem Polderman, Paolo Frasca

In online platforms, recommender systems are responsible for directing users to relevant contents. In order to enhance the users' engagement, recommender systems adapt their output…

math.AP2018

Deterministics descriptions of the turbulence in the Navier-Stokes equations

Oscar Jarrin, Isabelle Gallagher, Lorenzo Brandolese +3

This PhD thesis is devoted to deterministic study of the turbulence in the Navier- Stokes equations. The thesis is divided in four independent chapters.The first chapter involves a…

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…