Vibrational relaxation of NO on Au(111) via electron-hole pair generation

Journal of Chemical Physics

Volumn 125, Issue 15, 2006, Pages

  Shenvi, Neil ^a   Roy, Sharani ^a   Parandekar, Priya ^a   Tully, John ^a  

^a YALE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC ENERGY; VIBRATIONAL ENERGY; VIBRATIONAL RELAXATION;

APPROXIMATION THEORY; ELECTRIC EXCITATION; ELECTRONS; MOLECULAR DYNAMICS; PARAMETER ESTIMATION; VIBRATION CONTROL;

GOLD;

EID: 33750144457     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2357740     Document Type: Article

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23. Although we ran our simulations for 400 fs, in almost all cases the relaxation was essentially complete after ∼100 fs.