A density functional theory study of shake-up satellites in photoemission of carbon fullerenes and nanotubes

Journal of Chemical Physics

Volumn 128, Issue 23, 2008, Pages

  Gao, Bin ^a,b   Wu, Ziyu ^a   Luo, Yi ^a  

^a INSTITUTE OF HIGH ENERGY PHYSICS   (China)

^b ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; CARBON; CARBON NANOTUBES; CHARGE TRANSFER; CHEMICAL BONDS; EMISSION SPECTROSCOPY; FULLERENES; GADOLINIUM; ION EXCHANGE; METAL IONS; METALS; MOLECULAR ORBITALS; NANOPORES; NANOSTRUCTURES; NANOTUBES; PROBABILITY DENSITY FUNCTION; QUANTUM CHEMISTRY; SINGLE-WALLED CARBON NANOTUBES (SWCN);

AMERICAN INSTITUTE OF PHYSICS (AIP); CARBON CAGES; CARBON FULLERENES; CORE HOLE; DENSITY-FUNCTIONAL (DF); ENDOHEDRAL METALLOFULLERENE; EXCITON BINDING ENERGY; FULLERENES C60 , C70; KOHN-SHAM (KS) DENSITY; LARGE SYSTEMS; ORBITALS; SHAKE-UP SATELLITES; SINGLE-WALLED CARBON NANOTUBES (SWCNTS); SPECTRA (CO); TIME-DEPENDENT DENSITY-FUNCTIONAL THEORY (TD-DFT); TRANSITION (JEL CLASSIFICATIONS:E52 ,E41 ,E31);

DENSITY FUNCTIONAL THEORY;

CARBON NANOTUBE; FULLERENE DERIVATIVE; GADOLINIUM;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; ELECTRON; PHOTON; QUANTUM THEORY;

ELECTRONS; FULLERENES; GADOLINIUM; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR CONFORMATION; NANOTUBES, CARBON; PHOTONS; QUANTUM THEORY;

EID: 47249130886     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2943676     Document Type: Article

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