### Abstract

Classical functional sensitivity analysis has been used to probe the detailed physics of how the dynamics in coplanar rotationally inelastic collisions of H_{2} and HD draws on the underlying potential energy surface. A new expression for the full sensitivity map is derived, and maps are calculated as a function of angle for the three observables of interest at two values of the initial relative kinetic energy. These full sensitivity maps were compared with full sensitivity maps generated from a truncated Fourier sum. This comparison showed that a Fourier sum of radial sensitivity coefficients (δO/δυ_{m1,m2}) through _{m1,m2} = ±6 was sufficient to generate full sensitivity maps. The effect of varying the initial relative kinetic energy was found to have a profound effect on both the radial sensitivity coefficients and the full sensitivity maps and indicates that a localized perturbation of the potential will affect observables differently at different values of the initial relative kinetic energy.

Original language | English (US) |
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Pages (from-to) | 6890-6903 |

Number of pages | 14 |

Journal | Journal of physical chemistry |

Volume | 96 |

Issue number | 17 |

DOIs | |

State | Published - Jan 1 1992 |

### All Science Journal Classification (ASJC) codes

- Engineering(all)
- Physical and Theoretical Chemistry

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## Cite this

_{2}with HD.

*Journal of physical chemistry*,

*96*(17), 6890-6903. https://doi.org/10.1021/j100196a010