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