Model Hamiltonian for the interaction of NO with the Au(111) surface

Journal of Chemical Physics

Volumn 130, Issue 17, 2009, Pages

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

^a YALE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB-INITIO; APPLIED ELECTRIC FIELDS; AU(111) SURFACE; DIABATIC STATE; DIAGONAL ELEMENTS; GROUND-STATE DENSITIES; HAMILTONIAN MATRICES; ION STATE; IONIC CONFIGURATIONS; METAL SURFACES; MODEL HAMILTONIANS; NON-ADIABATIC DYNAMICS; NON-ADIABATIC EFFECTS; OFF-DIAGONAL ELEMENTS; ROTATIONAL ENERGIES; SCATTERING SIMULATIONS; TESTING GROUNDS; TRANSLATIONAL ENERGIES; TRAPPING PROBABILITIES;

CHARGE TRANSFER; DENSITY FUNCTIONAL THEORY; ELECTRIC FIELDS; ION EXCHANGE; MASS TRANSFER; MEATS; METAL TESTING; MOLECULES; NITRIC OXIDE; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY;

HAMILTONIANS;

EID: 65549090095     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3122989     Document Type: Article

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