Attractive and repulsive interactions in the inelastic scattering of NO by Ar: A comparison between classical trajectory and close-coupling quantum mechanical results
State-resolved differential cross sections for the rotationally inelastic scattering of the Ar+NO system have been derived from quasiclassical trajectories and quantum close-coupling calculations on a recent ab initio potential energy surface at the collision energy of a recent high resolution exper...
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Veröffentlicht in: | The Journal of chemical physics 2003-09, Vol.119 (12), p.5860-5866 |
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Hauptverfasser: | , , , , |
Format: | Artikel |
Sprache: | eng |
Online-Zugang: | Volltext |
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Zusammenfassung: | State-resolved differential cross sections for the rotationally inelastic scattering of the Ar+NO system have been derived from quasiclassical trajectories and quantum close-coupling calculations on a recent ab initio potential energy surface at the collision energy of a recent high resolution experiment (66 meV). Globally good agreement is obtained between the theoretical predictions and experimental results, although some of the experimental details are not reproduced in the classical calculation. The role of attractive and repulsive interactions in the observed dynamical features is examined. |
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ISSN: | 0021-9606 1089-7690 |
DOI: | 10.1063/1.1603223 |