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 |
|---|---|
| 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.
In: Physical Review A - Atomic, Molecular, and Optical Physics, Vol. 68, No. 3, 01.01.2003.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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U2 - 10.1103/PhysRevA.68.032714
DO - 10.1103/PhysRevA.68.032714
M3 - Article
VL - 68
JO - Physical Review A
JF - Physical Review A
SN - 2469-9926
IS - 3
ER -