المؤلفون: Anna Pomogaeva, Michael Filatov, Cheol Ho Choi

المصدر: Carbon Trends, Vol 7, Iss , Pp 100146- (2022)

مصطلحات موضوعية: Strong correlation, Quasi-particle band structure, Polyacene, Ensemble DFT, Photoconductivity, Chemistry, QD1-999

وصف الملف: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2667056922000025; https://doaj.org/toc/2667-0569

URL الوصول: https://doaj.org/article/b3d63fda2e674695836790eac276faab

المؤلفون: Huix-Rotllant, Miquel^Aff20, Nikiforov, Alexander^Aff21, Thiel, Walter^Aff21, Filatov, Michael^Aff22

المساهمون: Bayley, Hagan, Series editor^Aff1, Houk, Kendall N., Series editor^Aff2, Hughes, Greg, Series editor^Aff3, Hunter, Christopher A., Series editor^Aff4, Ishihara, Kazuaki, Series editor^Aff5, Krische, Michael J, Series editor^Aff6, Lehn, J.-M., Series editor^Aff7, Luque, Rafael, Series editor^Aff8, Olivucci, Massimo, Series editor^Aff9, Siegel, Jay S., Series editor^Aff10, Thiem, Joachim, Series editor^Aff11, Venturi, Margherita, Series editor^Aff12, Wong, Chi-Huey, Series editor^Aff13, Wong, Henry N.C., Series editor^Aff14, You, Shu-Li, Series editor^Aff15, Wing-Wah Yam, Vivian, Series editor^Aff16, Ferré, Nicolas, editor^Aff17, Filatov, Michael, editor^Aff18, Huix-Rotllant, Miquel, editor^Aff19

المصدر: Density-Functional Methods for Excited States. 368:445-476

المؤلفون: Michael Filatov, Seunghoon Lee, Hiroya Nakata, Cheol-Ho Choi

المصدر: International Journal of Molecular Sciences, Vol 22, Iss 8, p 4276 (2021)

مصطلحات موضوعية: non-adiabatic dynamics, conical intersection, time-resolved photoelectron spectra, ionization potential, ensemble DFT, Biology (General), QH301-705.5, Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://www.mdpi.com/1422-0067/22/8/4276; https://doaj.org/toc/1661-6596; https://doaj.org/toc/1422-0067

URL الوصول: https://doaj.org/article/622962f0eafe4674ae62c2f3f391e146

المؤلفون: Cheol Ho Choi, Hiroya Nakata, Michael Filatov, Seung-Hoon Lee

المصدر: International Journal of Molecular Sciences
Volume 22
Issue 8
International Journal of Molecular Sciences, Vol 22, Iss 4276, p 4276 (2021)

مصطلحات موضوعية: Models, Molecular, conical intersection, QH301-705.5, Photoemission spectroscopy, Population, Molecular Conformation, 010402 general chemistry, 01 natural sciences, Molecular physics, Catalysis, Article, Inorganic Chemistry, Core electron, time-resolved photoelectron spectra, 0103 physical sciences, Biology (General), Physical and Theoretical Chemistry, Exponential decay, education, Furans, ensemble DFT, QD1-999, Molecular Biology, Spectroscopy, Density Functional Theory, Physics, education.field_of_study, non-adiabatic dynamics, 010304 chemical physics, Photoelectron Spectroscopy, Organic Chemistry, General Medicine, Conical intersection, Models, Theoretical, 0104 chemical sciences, Computer Science Applications, Chemistry, Excited state, Density functional theory, ionization potential, Ground state, Algorithms

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d154913d10a14d165c1f337edb65a808
http://europepmc.org/articles/PMC8074317

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المؤلفون: Senjean, Bruno

المساهمون: Institut de Chimie de Strasbourg, Université de Strasbourg (UNISTRA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC), Université de Strasbourg, Emmanuel Fromager

المصدر: Theoretical and/or physical chemistry. Université de Strasbourg, 2018. English. ⟨NNT : 2018STRAF035⟩

مصطلحات موضوعية: [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, Hubbard model, DFT pour les ensembles, Embedding methods, Électrons fortement corrélés, Théorie de la fonction d’onde, Density functional theory, Ensemble DFT, Théorie de la fonctionnelle de la densité, Méthode d’embedding, Wavefunction theory, Strongly correlated electrons, Site-occupation embedding theory

URL الوصول: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::18b768acc42e4efbb2ef95fa7ecfa67c
https://tel.archives-ouvertes.fr/tel-01997605/file/Senjean_Bruno_2018_ED222.pdf

المؤلفون: Senjean, Bruno

المساهمون: STAR, ABES

مصطلحات موضوعية: [CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry, Hubbard model, DFT pour les ensembles, Embedding methods, Électrons fortement corrélés, Théorie de la fonction d’onde, Density functional theory, Ensemble DFT, Théorie de la fonctionnelle de la densité, Méthode d’embedding, Wavefunction theory, Strongly correlated electrons, Site-occupation embedding theory

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=od_______166::18b768acc42e4efbb2ef95fa7ecfa67c
https://theses.hal.science/tel-01997605

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