## Abstract

We report converged quantum mechanical calculations of scattering matrices and transition probabilities for the reaction of H with H_{2} with total angular momentum 0, 1, and 4 as functions of total energy in the range 0.85-1.15 eV on an accurate potential energy surface. These calculations show energy dependences that may be attributed to dynamical resonances with vibrational quantum numbers (10^{0}0) and (11^{1}0). The resonance structure is illustrated with Argand diagrams, and we present state-to-state reactive collision delay times and lifetimes. For J = 0, 1, and 4, we found the lowest-energy H_{3} resonance at total energies of 0.983, 0.985, and 1.01 eV, respectively, with lifetimes of about 16-17 fs. For J = 1 and 4 there is a higher-energy resonance at 1.10-1.11 eV; for J = 1 the lifetime is about 4 fs and for J = 4 it is about 1 fs.

Original language | English (US) |
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Pages (from-to) | 5302-5309 |

Number of pages | 8 |

Journal | The Journal of chemical physics |

Volume | 91 |

Issue number | 9 |

DOIs | |

State | Published - Jan 1 1989 |

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