Optical saturation driven by exciton confinement in molecular chains: A time-dependent density-functional theory approach (Articolo in rivista)

Type

• Prodotto della ricerca (Classe)
• Articolo in rivista (Classe)

Label

• Optical saturation driven by exciton confinement in molecular chains: A time-dependent density-functional theory approach (Articolo in rivista) (literal)

Anno

• 2008-01-01T00:00:00+01:00 (literal)

Alternative label

• Varsano, D; Marini, A; Rubio, A (2008)
  Optical saturation driven by exciton confinement in molecular chains: A time-dependent density-functional theory approach
  in Physical review letters (Print)
  (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori

• Varsano, D; Marini, A; Rubio, A (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume

• 101 (literal)

Rivista

• Physical review letters (Rivista)

Note

• ISI Web of Science (WOS) (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni

• \"[Varsano, Daniele] CNR, INFM, Natl Ctr Nanostruct & Biosyst Surfaces S3, I-41100 Modena, Italy; [Varsano, Daniele] ETSF, I-41100 Modena, Italy; [Marini, Andrea] Univ Roma Tor Vergata, CNISM, Inst Stat Mech & Complex, INFM,CNR,ETSF, I-00133 Rome, Italy; [Marini, Andrea] Univ Roma Tor Vergata, Dipartimento Fis, I-00133 Rome, Italy; [Rubio, Angel] Univ Pais Vasco, UPV EHU, Nanobio Spect Grp, Donostia San Sebastian 20018, Spain; [Rubio, Angel] Univ Pais Vasco, UPV EHU, CSIC, Unidad Fis Mat Ctr Mixto, Donostia San Sebastian 20018, Spain; [Rubio, Angel] ETSF, Donostia San Sebastian 20018, Spain (literal)

Titolo

• Optical saturation driven by exciton confinement in molecular chains: A time-dependent density-functional theory approach (literal)

Abstract

• We identify excitonic confinement in one-dimensional molecular chains (i.e., polyacetylene and H-2) as the main driving force for the saturation of the chain polarizability as a function of the number of molecular units. This conclusion is based on first principles time-dependent density-functional theory calculations using a recently developed exchange-correlation kernel that accounts for excitonic effects. The failure of simple local and semilocal functionals is shown to be linked to the lack of memory effects, spatial ultranonlocality, and self-interaction corrections. These effects get smaller as the gap reduces, in which case such simple approximations do perform better. (literal)

Autore CNR

• ANDREA MARINI (Unità di personale esterno)

Insieme di parole chiave

• Parole chiave di "Optical saturation driven by exciton confinement in molecular chains: A time-dependent density-functional theory approach" (Insieme di parole chiave)

Incoming links:

Autore CNR di

• ANDREA MARINI (Unità di personale esterno)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#rivistaDi

• Physical review letters (Rivista)

Insieme di parole chiave di

• Parole chiave di "Optical saturation driven by exciton confinement in molecular chains: A time-dependent density-functional theory approach" (Insieme di parole chiave)