The importance of accurate adiabatic interaction potentials for the correct description of electronically nonadiabatic vibrational energy transfer: A combined experimental and theoretical study of NO(v = 3) collisions with a Au(111) surface

Journal of Chemical Physics

Volumn 140, Issue 4, 2014, Pages

  Golibrzuch, Kai ^a,b   Shirhatti, Pranav R ^a,b   Rahinov, Igor ^c   Kandratsenka, Alexander ^a,b   Auerbach, Daniel J ^a,b,d   Wodtke, Alec M ^a,b   Bartels, Christof ^a,b  

^a UNIVERSITY OF GÖTTINGEN   (Germany)

^b MAX PLANCK INSTITUTE FOR BIOPHYSICAL CHEMISTRY   (Germany)

^c OPEN UNIVERSITY OF ISRAEL   (Israel)

^d UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; ENERGY TRANSFER; HAMILTONIANS; MOLECULAR BEAMS; MOLECULAR ORIENTATION; MOLECULES; QUANTUM THEORY; RELAXATION PROCESSES;

ADIABATIC SIMULATION; FIRST-PRINCIPLES APPROACHES; INTERACTION POTENTIALS; MOLECULAR BEAM SURFACE SCATTERINGS; NON-ADIABATIC DYNAMICS; THEORETICAL SIMULATION; VIBRATIONAL ENERGY TRANSFER; VIBRATIONAL RELAXATION;

SURFACE SCATTERING;

GAS; GOLD; NITRIC OXIDE;

ALGORITHM; CHEMISTRY; ELECTRON; ENERGY TRANSFER; FRICTION; GAS; MOLECULAR DYNAMICS; PROBABILITY; RADIATION SCATTERING; SURFACE PROPERTY; VIBRATION;

ALGORITHMS; ELECTRONS; ENERGY TRANSFER; FRICTION; GASES; GOLD; MOLECULAR DYNAMICS SIMULATION; NITRIC OXIDE; PROBABILITY; SCATTERING, RADIATION; SURFACE PROPERTIES; VIBRATION;

EID: 84902205549     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4861660     Document Type: Article

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