Importance of correctly describing charge-transfer excitations for understanding the chemical effect in SERS

Journal of Physical Chemistry Letters

Volumn 3, Issue 17, 2012, Pages 2470-2475

  Moore, Justin E ^a   Morton, Seth M ^a   Jensen, Lasse ^a  

^a PENNSYLVANIA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE-TRANSFER EXCITATIONS; CHEMICAL COUPLING; CHEMICAL EFFECT; CHEMICAL ENHANCEMENTS; ENERGY DIFFERENCES; ENHANCEMENT FACTOR; ENHANCEMENT MECHANISM; FUNCTIONALS; GENERALIZED GRADIENT APPROXIMATIONS; HIGHEST OCCUPIED MOLECULAR ORBITAL; HYBRID FUNCTIONALS; LOWEST UNOCCUPIED MOLECULAR ORBITAL; MOLECULE SURFACE; SURFACE ENHANCED RAMAN SCATTERING (SERS); TIME DEPENDENT DENSITY FUNCTIONAL THEORY;

DENSITY FUNCTIONAL THEORY; MOLECULES; QUANTUM CHEMISTRY;

CHARGE TRANSFER;

EID: 84865957922     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz300492p     Document Type: Article

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