Optical excitation energies, Stokes shift, and spin-splitting of C 24 H72 Si14

Journal of Chemical Physics

Volumn 133, Issue 3, 2010, Pages

  Zope, Rajendra R ^a,b   Baruah, Tunna ^b   Richardson, Steven L ^a,c   Pederson, Mark R ^c   Dunlap, Brett I ^c  

^a HOWARD UNIVERSITY   (United States)

^b UNIVERSITY OF TEXAS AT EL PASO   (United States)

^c NAVAL RESEARCH LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADAMANTANES; ATOMIC ENERGIES; DENSITY FUNCTIONALS; DENSITY-FUNCTIONAL MODELS; DIAMONDOIDS; ELECTRON HOLE; ELECTRON LEVELS; ELECTRON-DONATING GROUP; EXCITON ENERGIES; EXCITON-BINDING ENERGY; GENERALIZED GRADIENT APPROXIMATIONS; HIGHEST OCCUPIED MOLECULAR ORBITAL; IONIZATION ENERGIES; LOWEST UNOCCUPIED MOLECULAR ORBITAL GAP; OPTICAL EXCITATION ENERGIES; OPTICAL EXCITATIONS; PERDEW-BURKE-ERNZERHOF; QUASI PARTICLES; SELF-CONSISTENT FIELD; SPIN SPLITTINGS; STOKES SHIFT; SYNTHESIS AND CHARACTERIZATIONS; TRANSITIONAL STATE;

BINDING ENERGY; ELECTRONIC STRUCTURE; EXCITATION ENERGY; EXCITONS; IONIZATION; MOLECULAR MODELING; MOLECULAR ORBITALS; NUCLEAR ENERGY; PARTICLE DETECTORS; PHOTOEXCITATION; SILICON; SYNTHESIS (CHEMICAL);

ATOMS;

EID: 77956244768     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3459056     Document Type: Article

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