Zobrazeno 1 - 10
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pro vyhledávání: '"Duchemin A"'
The many-body $GW$ formalism, for the calculation of ionization potentials or electronic affinities, relies on the frequency-dependent dielectric function built from the electronic degrees of freedom. Considering the case of water as a solvent treate
Externí odkaz:
http://arxiv.org/abs/2409.01669
We investigate experimentally the receding of a contact line when a Peltier module is pulled out of a water bath at constant speed, while a ice layer is also growing at constant speed on the Peltier module. A steady regime is therefore reached for al
Externí odkaz:
http://arxiv.org/abs/2409.00385
Autor:
Knysh, Iryna, Lipparini, Filippo, Blondel, Aymeric, Duchemin, Ivan, Blase, Xavier, Loos, Pierre-François, Jacquemin, Denis
To expand the QUEST database of highly-accurate vertical transition energies, we consider a series of large organic chromogens ubiquitous in dye chemistry, such as anthraquinone, azobenzene, BODIPY, and naphthalimide. We compute, at the CC3 level of
Externí odkaz:
http://arxiv.org/abs/2407.09060
We present an original multi-state projective diabatization scheme based on the Green's function formalism that allows the systematic mapping of many-body ab initio calculations onto effective excitonic models. This method inherits the ability of the
Externí odkaz:
http://arxiv.org/abs/2406.07143
Continuum or discrete polarizable models for the study of optoelectronic processes in embedded subsystems rely mostly on the restriction of the surrounding electronic dielectric response to its low frequency limit. Such a description hinges on the as
Externí odkaz:
http://arxiv.org/abs/2403.20114
In binary mixtures, the lifetimes of surface bubbles can be five orders of magnitude longer than those in pure liquids because of slightly different compositions of the bulk and the surfaces, leading to a thickness-dependent surface tension of thin f
Externí odkaz:
http://arxiv.org/abs/2402.09942
Autor:
Giannini, Samuele, Sowood, Daniel J. C., Cerda, Jesus, Frederix, Siebe, Grune, Jeannine, Londi, Giacomo, Marsh, Thomas, Ghosh, Pratyush, Duchemin, Ivan, Greenham, Neil C., Vandewal, Koen, D'Avino, Gabriele, Gillett, Alexander J., Beljonne, David
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 (OPVs) have now exceeded 19%. However, despite this rapid progress, o
Externí odkaz:
http://arxiv.org/abs/2312.04459
Publikováno v:
J. Chem. Phys. 159, 164107 (2023)
We present a many-body $GW$ formalism for quantum subsystems embedded in discrete polarizable environments containing up to several hundred thousand atoms described at a fully ab initio random phase approximation level. Our approach is based on a fra
Externí odkaz:
http://arxiv.org/abs/2308.11252
Autor:
Duchemin, Ivan, Levitt, Antoine
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 corresponding to ionized electrons are expanded on a basis set of delocal
Externí odkaz:
http://arxiv.org/abs/2305.13736
Publikováno v:
The Journal of Classics Teaching, Vol 25, Pp 39-42 (2024)
In the Marseille region in France, ancient Greek has been taught in pre-school and primary school for more than 20 years. The ‘Nausicaa’ Association was created in 1996 with an express purpose in mind. As Nausicaa was Odysseus' guide and helped h
Externí odkaz:
https://doaj.org/article/e5371c2c7c304dd499615db77858eae1
