### Abstract

Structural isomerization dynamics of three- and four-atom clusters of vanishing total angular momentum is studied in terms of internal coordinates of n-body systems on the basis of a gauge theory. The so-called principal-axis hyperspherical coordinates are employed effectively as collective variables for the study of isomerization reactions. It turns out that the non-Euclidean metric on the internal space gives rise to a force, which works in response to internal motions called the democratic (kinematic) rotations in the internal space. This metric force generally tends to induce an asymmetry in mass balance of a system, and is coupled with the usual potential force to give rise to trapped motions in the vicinity of the transition states of the cluster. This observation provides a different perspective for the so-called recrossing problem in chemical reaction dynamics.

Original language | English |
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Number of pages | 1 |

Journal | Physical Review A - Atomic, Molecular, and Optical Physics |

Volume | 68 |

Issue number | 3 |

DOIs | |

Publication status | Published - 2003 Jan 1 |

Externally published | Yes |

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### ASJC Scopus subject areas

- Atomic and Molecular Physics, and Optics

### Cite this

**Collective coordinates and an accompanying metric force in structural isomerization dynamics of molecules.** / Yanao, Tomohiro; Takatsuka, Kazuo.

Research output: Contribution to journal › Article

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TY - JOUR

T1 - Collective coordinates and an accompanying metric force in structural isomerization dynamics of molecules

AU - Yanao, Tomohiro

AU - Takatsuka, Kazuo

PY - 2003/1/1

Y1 - 2003/1/1

N2 - Structural isomerization dynamics of three- and four-atom clusters of vanishing total angular momentum is studied in terms of internal coordinates of n-body systems on the basis of a gauge theory. The so-called principal-axis hyperspherical coordinates are employed effectively as collective variables for the study of isomerization reactions. It turns out that the non-Euclidean metric on the internal space gives rise to a force, which works in response to internal motions called the democratic (kinematic) rotations in the internal space. This metric force generally tends to induce an asymmetry in mass balance of a system, and is coupled with the usual potential force to give rise to trapped motions in the vicinity of the transition states of the cluster. This observation provides a different perspective for the so-called recrossing problem in chemical reaction dynamics.

AB - Structural isomerization dynamics of three- and four-atom clusters of vanishing total angular momentum is studied in terms of internal coordinates of n-body systems on the basis of a gauge theory. The so-called principal-axis hyperspherical coordinates are employed effectively as collective variables for the study of isomerization reactions. It turns out that the non-Euclidean metric on the internal space gives rise to a force, which works in response to internal motions called the democratic (kinematic) rotations in the internal space. This metric force generally tends to induce an asymmetry in mass balance of a system, and is coupled with the usual potential force to give rise to trapped motions in the vicinity of the transition states of the cluster. This observation provides a different perspective for the so-called recrossing problem in chemical reaction dynamics.

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UR - http://www.scopus.com/inward/citedby.url?scp=85037190251&partnerID=8YFLogxK

U2 - 10.1103/PhysRevA.68.032714

DO - 10.1103/PhysRevA.68.032714

M3 - Article

AN - SCOPUS:85037190251

VL - 68

JO - Physical Review A

JF - Physical Review A

SN - 2469-9926

IS - 3

ER -