Nonadiabatic dynamics at metal surfaces: Independent-electron surface hopping

Journal of Chemical Physics

Volumn 130, Issue 17, 2009, Pages

  Shenvi, Neil ^a   Roy, Sharani ^a   Tully, John C ^a  

^a YALE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADIABATS; DEGREES OF FREEDOMS; DENSITY FUNCTIONAL THEORY CALCULATIONS; ELECTRON SURFACES; ELECTRON-HOLE PAIR EXCITATIONS; ELECTRON-HOLE PAIRS; GOLD SURFACES; INELASTIC SCATTERING PROCESS; METAL SURFACES; MULTI STATE; NON-ADIABATIC; NON-ADIABATIC DYNAMICS; NON-ADIABATIC TRANSITIONS; SURFACE DYNAMICS; SURFACE ELECTRONS; VIBRATIONAL RELAXATIONS;

DENSITY FUNCTIONAL THEORY; DYNAMICS; ELECTRONS; ENERGY TRANSFER; METALS; NITRIC OXIDE; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY;

SURFACE RELAXATION;

EID: 65549098164     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3125436     Document Type: Article

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