## Abstract

H ^{+} + NO(v _{i} = 0) = H ^{+} + NO(v _{f} = 0-2) at E _{Lab} = 30 eV is investigated with the simplest-level electron nuclear dynamics (SLEND) method. In a direct, time-dependent, variational, and non-adiabatic framework, SLEND adopts nuclear classical mechanics and an electronic single-determinantal wavefunction. A coherent-states (CS) procedure recovers quantum vibrational properties from classical mechanics. Besides canonical CS, SU(1,1), SU(2), and Gazeau-Klauder Morse CS are innovatively introduced to treat anharmonicity. SLEND vibrational differential cross, rainbow scattering angles, and H ^{+} energy loss spectra compare well with experimental data and with vibrational close-coupling rotational infinite-order sudden approximation results obtained at a higher computational cost.

Original language | English |
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Pages (from-to) | 42-49 |

Number of pages | 8 |

Journal | Chemical Physics Letters |

Volume | 551 |

DOIs | |

State | Published - Nov 1 2012 |

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