On the reaction path Hamiltonian

Jia Zhong Sun*, Ze Sheng Li

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

Abstract

A vector-fiber bundle structure of the reaction path Hamiltonian, which has been introduced by Miller, Handy and Adams, is explored with respect to molecular vibrations orthogonal to the reaction path. The symmetry of the fiber bundle is characterized by the real orthogonal group O(3N - 7) for the dynamical system with N atoms. Under the action of group O(3N - 7), the kinetic energy of the reaction path Hamiltonian is left invariant. Furthermore, the invariant behaviour of the Hamiltonian vector fields is investigated.

Original languageEnglish
Pages (from-to)129-140
Number of pages12
JournalScience in China. Series B, Chemistry, life sciences & earth sciences
Volume37
Issue number2
Publication statusPublished - Feb 1994
Externally publishedYes

Keywords

  • Hamiltonian vector fields
  • reaction path Hamiltonian
  • vector-fiber bundle

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