## Abstract

The adiabaticity assumption of the vibrationally adiabatic theory of chemical reactions in the zero-curvature approximation is directly tested for the collinear H + H_{2} reaction against calculations using exact wavefunctions. It is found that the symmetric stretch motion of the transition state is adiabatic to within 10% for total energies E ranging from 0.51 eV to 0.72 eV. For E below the zero-point energy of this symmetric stretch motion non-adiabaticity is substantial and is probably due to tunneling. For E above the first excited vibrational state energy of this symmetric stretch motion the adiabaticity assumption breaks down completely.

Original language | English (US) |
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Pages (from-to) | 229-232 |

Number of pages | 4 |

Journal | Chemical Physics Letters |

Volume | 20 |

Issue number | 3 |

DOIs | |

State | Published - Jun 1 1973 |