## Abstract

A two-by-two diabatic propagation method is developed to deal with general one-dimensional multi-channel curve crossing problems. Each crossing is treated within the newly completed two-state semiclassical theory in the diabatic representation and is represented by a nonadiabatic transition matrix (I-matrix). A product of all the I-matrices yields the reduced scattering matrix for the entire system. This theory can handle the multi-channel curve crossing problems as simply as a two-state problem. An analysis of the complex crossing points in the momentum space can provide a comprehensive illustrative criterion of this method. A detailed severe numerical test is made by taking a seven-state system with 6 and 12 nonzero diabatic couplings. It is demonstrated that dominant processes among the state-to-state transitions are well reproduced by the present semiclassical theory.

Original language | English |
---|---|

Pages (from-to) | 2599-2611 |

Number of pages | 13 |

Journal | Journal of Chemical Physics |

Volume | 106 |

Issue number | 7 |

DOIs | |

State | Published - 15 Feb 1997 |