Showing results (1-10 of 43) with videos related to
Sort By:
Pageof 5
The Journal of Chemical Physics|September 23, 2024
Fragment quantum embedding using the Householder transformation: A multi-state extension based on ensemblesFilip Cernatic, Emmanuel Fromager, Saad YalouzJournal of Computational Chemistry|May 3, 2024
Extended N-centered ensemble density functional theory of double electronic excitationsFilip Cernatic, Emmanuel FromagerTopics in Current Chemistry (Cham)|November 26, 2021
Ensemble Density Functional Theory of Neutral and Charged Excitations : Exact Formulations, Standard Approximations, and Open QuestionsFilip Cernatic, Bruno Senjean, Vincent Robert, et al.The Journal of Chemical Physics|December 13, 2022
Quantum embedding of multi-orbital fragments using the block-Householder transformationSaad Yalouz, Sajanthan Sekaran, Emmanuel Fromager, et al.The Journal of Physical Chemistry. A|January 20, 2025
Ensemble Density Functional Theory of Ground and Excited Energy LevelsEmmanuel FromagerPhysical Review Letters|July 9, 2020
Individual Correlations in Ensemble Density Functional Theory: State- and Density-Driven Decompositions without Additional Kohn-Sham SystemsEmmanuel FromagerPhysical Review. E|February 20, 2020
Continuous-time quantum walk on an extended star graph: Disorder-enhanced trapping processSaad Yalouz, Vincent PouthierPhysical Review. E|January 21, 2023
Extended star graph as a light-harvesting-complex prototype: Excitonic absorption speedup by peripheral energy defect tuningSaad Yalouz, Vincent PouthierPhysical Review. E|March 18, 2018
Continuous-time quantum walk on an extended star graph: Trapping and superradiance transitionSaad Yalouz, Vincent PouthierThe Journal of Chemical Physics|January 10, 2012
Rigorous formulation of two-parameter double-hybrid density-functionalsEmmanuel FromagerPageof 5