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  Velocity Distributions after Laser-Induced Desorption of NO from NiO(100)-The Role of the Angular Coordinate

Thiel, S., Klüner, T., Freund, H.-J., & Kosloff, R. (1998). Velocity Distributions after Laser-Induced Desorption of NO from NiO(100)-The Role of the Angular Coordinate. Israel Journal of Chemistry, 38(4), 321-327. doi:10.1002/ijch.199800037.

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 Creators:
Thiel, Stephan1, Author           
Klüner, Thorsten1, Author           
Freund, Hans-Joachim1, Author                 
Kosloff, Ronnie, Author
Affiliations:
1Chemical Physics, Fritz Haber Institute, Max Planck Society, ou_24022              

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 Abstract: The experimental velocity distributions of NO desorbing from a NiO(100)-surface are simulated using a time-dependent wave packet method. Including the polar angle between the surface normal and the adsorbate molecular axis yields bimodal distributions in the correct velocity range and reasonable desorption probabilities if a resonance lifetime on the order of 25 fs is assumed. For two-dimensional simulations, an angular-independent charge-transfer-state was chosen as excited state in order to investigate the influence of the electronic ground-state on the final state distributions. We compare our results with wave packet calculations using a representative ab initio angular-dependent excited-state potential energy surface using a three-dimensional Hamiltonian

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Language(s): eng - English
 Dates: 1998-071998
 Publication Status: Issued
 Pages: 7
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1002/ijch.199800037
 Degree: -

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Title: Israel Journal of Chemistry
  Other : Isr. J. Chem.
Source Genre: Journal
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Publ. Info: Weinheim : Wiley-VCH Verlag GmbH & Co. KGaA
Pages: 7 Volume / Issue: 38 (4) Sequence Number: - Start / End Page: 321 - 327 Identifier: ISSN: 0021-2148
CoNE: https://pure.mpg.de/cone/journals/resource/954925408770