Zobrazeno 1 - 2
of 2
pro vyhledávání: '"Gabriel Breuil"'
Publikováno v:
Journal of Chemical Physics
Journal of Chemical Physics, American Institute of Physics, 2021, 155 (3), pp.034303. ⟨10.1063/5.0056351⟩
Journal of Chemical Physics, American Institute of Physics, 2021, 155 (3), pp.034303. ⟨10.1063/5.0056351⟩
International audience; Funneling dynamics in conjugated dendrimers has raised great interest in the context of artificial light-harvesting processes. Photoinduced relaxation has been explored by time-resolved spectroscopy and simulations, mainly by
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5053f9f1ea3e93a43a9aa983386d180f
https://hal.umontpellier.fr/hal-03348831
https://hal.umontpellier.fr/hal-03348831
Autor:
Elise Lognon, Benjamin Lasorne, Sylvain Pitié, Thibaud Etienne, Gabriel Breuil, Kaltrina Shehu
Publikováno v:
State of The Art of Molecular Electronic Structure Computations: Correlation Methods, Basis Sets and More
State of The Art of Molecular Electronic Structure Computations: Correlation Methods, Basis Sets and More, 79, pp.289-310, 2019, ⟨10.1016/bs.aiq.2019.04.004⟩
State of The Art of Molecular Electronic Structure Computations: Correlation Methods, Basis Sets and More, 79, pp.289-310, 2019, ⟨10.1016/bs.aiq.2019.04.004⟩
In this chapter we discuss the reliability of two computational methods (numerical integration on Cartesian grids and population analysis) used for evaluating scalar quantities related to the nature of electronic transitions. These descriptors are in
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7902ea338a08959029f3fee56a17ef83
https://hal.archives-ouvertes.fr/hal-02395506
https://hal.archives-ouvertes.fr/hal-02395506