LCC - Centre de Ressources Documentaires

Titre de série : |
Topics in Current Chemistry |
Titre : |
Vol.368 : Density-functional methods for excited states |
Type de document : |
texte imprimé |
Auteurs : |
Nicolas Ferré, Éditeur scientifique ; Michael Filatov, Éditeur scientifique ; Miquel Huix-Rotllant, Éditeur scientifique |
Editeur : |
Berlin, Heidelberg : Springer |
Année de publication : |
2016 |
Collection : |
Topics in Current Chemistry, ISSN 0340-1022 num. 368  |
Importance : |
xii, 481 p. |
Format : |
24 cm |
ISBN/ISSN/EAN : |
978-3-319-22080-2 |
Langues : |
Anglais (eng) |
Note de contenu : |
"*Many-body perturbation theory (MBPT) and time-dependent density-functional theory (TD-DFT): MBPT insights about what is missing in, and corrections to, the TD-DFT adiabatic approximation
* Constricted variational density functional theory approach to the description of excited states
* Ensemble DFT approach to excited states of strongly correlated molecular systems
* Reduced density matrix functional theory (RDMFT) and linear response time-dependent RDMFT (TD-RDMFT)
* Excitons in time-dependent density-functional theory
* Dynamical processes in open quantum systems from a TDDFT perspective: Resonances and electron photoemission
* Nonlinear spectroscopy of core and valence excitations using short X-ray pulses: Simulation challenges
* Computational molecular electronic spectroscopy with TD-DFT
* Absorption spectroscopy, emissive properties, and ultrafast intersystem crossing processes in transition metal complexes: TD-DFT and spin-orbit coupling
* Surface hopping dynamics with DFT excited states
* Description of conical intersections with density functional methods." |
Cote : |
EXCLU (SdL) |
Num_Inv : |
3354 |
Topics in Current Chemistry. Vol.368 : Density-functional methods for excited states [texte imprimé] / Nicolas Ferré, Éditeur scientifique ; Michael Filatov, Éditeur scientifique ; Miquel Huix-Rotllant, Éditeur scientifique . - Berlin, Heidelberg : Springer, 2016 . - xii, 481 p. ; 24 cm. - ( Topics in Current Chemistry, ISSN 0340-1022; 368) . ISBN : 978-3-319-22080-2 Langues : Anglais ( eng)
Note de contenu : |
"*Many-body perturbation theory (MBPT) and time-dependent density-functional theory (TD-DFT): MBPT insights about what is missing in, and corrections to, the TD-DFT adiabatic approximation
* Constricted variational density functional theory approach to the description of excited states
* Ensemble DFT approach to excited states of strongly correlated molecular systems
* Reduced density matrix functional theory (RDMFT) and linear response time-dependent RDMFT (TD-RDMFT)
* Excitons in time-dependent density-functional theory
* Dynamical processes in open quantum systems from a TDDFT perspective: Resonances and electron photoemission
* Nonlinear spectroscopy of core and valence excitations using short X-ray pulses: Simulation challenges
* Computational molecular electronic spectroscopy with TD-DFT
* Absorption spectroscopy, emissive properties, and ultrafast intersystem crossing processes in transition metal complexes: TD-DFT and spin-orbit coupling
* Surface hopping dynamics with DFT excited states
* Description of conical intersections with density functional methods." |
Cote : |
EXCLU (SdL) |
Num_Inv : |
3354 |
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