## ABC

swMATH ID: | 9004 |

Software Authors: | D. Skouteris; J.F. Castillo; D.E. Manolopoulos |

Description: | ABC: a quantum reactive scattering program. This article describes a quantum mechanical reactive scattering program for atom-diatom chemical reactions that we have written during the past several years. The program use a coupled-channel hyperspherical coordinate method to solve the Schrödinger equation for the motion of the three nuclei on a single Born-Oppenheimer potential energy surface. It has been tested for all possible deuterium-substituted isotopomers of the H+H 2 , F+H 2 , and Cl+H 2 reactions, and tried and tested potential energy surfaces for these reactions are included within the program as Fortran subroutines. |

Homepage: | http://www.sciencedirect.com/science/article/pii/S0010465500001673 |

Related Software: | GriF; E02ACF; G05CAF; C02AFF; Algorithm 719; MPFUN; nag; NAG |

Cited in: | 3 Publications |

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### Cited by 8 Authors

1 | Akhmatskaya, Elena |

1 | Castillo, Jesús F. |

1 | Laganà, Antonio |

1 | Manolopoulos, David E. |

1 | Manuali, C. |

1 | Rampino, Sergio |

1 | Skouteris, Dimitris |

1 | Sokolovski, Dmitri |

### Cited in 1 Serial

3 | Computer Physics Communications |

### Cited in 4 Fields

3 | Quantum theory (81-XX) |

1 | General and overarching topics; collections (00-XX) |

1 | Partial differential equations (35-XX) |

1 | Approximations and expansions (41-XX) |