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Ilaria CIOFINI (07/04/2017)

publié le , mis à jour le

07/04/2017 11h00
ENSCR - Amphi B

Abstract :

With the aim of providing a simple but realistic description of excited state properties and evolution of molecular systems in gas and condensed phases, we report here examples of applications of recently developed density based indexes for the description of excited state as well as of a protocol allowing to include the presence of the environment (crystalline or amorphous) in a computationally affordable way.

Contacts Boris Le Guennic
(3 35 21)