Multiquantum Vibrational Excitation of NO Scattered from Au(111): Quantitative Comparison of Benchmark Data to Ab Initio Theories of Nonadiabatic Molecule–Surface Interactions | Zendy

Cooper Russell | Zendy; Bartels Christof | Zendy; Kandratsenka Alexander | Zendy; Rahinov Igor | Zendy; Shenvi Neil | Zendy; Golibrzuch Kai | Zendy; Li Zhisheng | Zendy; Auerbach Daniel J. | Zendy; Tully John C. | Zendy; Wodtke Alec M. | Zendy

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Multiquantum Vibrational Excitation of NO Scattered from Au(111): Quantitative Comparison of Benchmark Data to Ab Initio Theories of Nonadiabatic Molecule–Surface Interactions

Author(s) -

Cooper Russell,

Bartels Christof,

Kandratsenka Alexander,

Rahinov Igor,

Shenvi Neil,

Golibrzuch Kai,

Li Zhisheng,

Auerbach Daniel J.,

Tully John C.,

Wodtke Alec M.

Publication year - 2012

Publication title -

angewandte chemie international edition

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 5.831

H-Index - 550

eISSN - 1521-3773

pISSN - 1433-7851

DOI - 10.1002/anie.201201168

Subject(s) - excitation , ab initio , molecule , surface (topology) , benchmark (surveying) , ab initio quantum chemistry methods , chemistry , potential energy surface , molecular physics , atomic physics , physics , computational chemistry , theoretical physics , quantum mechanics , mathematics , geometry , geodesy , geography

Surface phenomena : Measurements of absolute probabilities are reported for the vibrational excitation of NO( v =0→1,2) molecules scattered from a Au(111) surface. These measurements were quantitatively compared to calculations based on ab initio theoretical approaches to electronically nonadiabatic molecule–surface interactions. Good agreement was found between theory and experiment (see picture; T s =surface temperature, P =excitation probability, and E =incidence energy of translation).

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