Impenetrable barriers in phase-space

被引:201
作者
Wiggins, S
Wiesenfeld, L
Jaffé, C
Uzer, T
机构
[1] Univ Bristol, Sch Math, Bristol BS8 1TW, Avon, England
[2] Univ Grenoble 1, Spectrometrie Phys Lab, F-38402 St Martin Dheres, France
[3] W Virginia Univ, Dept Chem, Morgantown, WV 26506 USA
[4] Georgia Inst Technol, Sch Phys, Ctr Nonlinear Sci, Atlanta, GA 30332 USA
关键词
D O I
10.1103/PhysRevLett.86.5478
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
Dynamical systems theory is used to construct a general phase-space version of transition state theory. Special multidimensional separatrices are found which act as impenetrable barriers in phase-space between reacting and nonreacting trajectories. The elusive momentum-dependent transition state between reactants and products is thereby characterized. A practical algorithm is presented and applied to a strongly coupled Hamiltonian.
引用
收藏
页码:5478 / 5481
页数:4
相关论文
共 23 条
[1]  
[Anonymous], 2002, Mathematical aspects of classical and celestial mechanics
[3]   GEOMETRY AND DYNAMICS OF STABLE AND UNSTABLE CYLINDERS IN HAMILTONIAN-SYSTEMS [J].
DEALMEIDA, AMO ;
DELEON, N ;
MEHTA, MA ;
MARSTON, CC .
PHYSICA D, 1990, 46 (02) :265-285
[4]   TRANSITION-STATE THEORY FOR BALLISTIC ELECTRONS [J].
ECKHARDT, B .
JOURNAL OF PHYSICS A-MATHEMATICAL AND GENERAL, 1995, 28 (12) :3469-3478
[5]   The activated complex in chemical reactions [J].
Eyring, H .
JOURNAL OF CHEMICAL PHYSICS, 1935, 3 (02) :107-115
[6]   SEMICLASSICAL TRANSITION-STATE THEORY - A NEW PERSPECTIVE [J].
HERNANDEZ, R ;
MILLER, WH .
CHEMICAL PHYSICS LETTERS, 1993, 214 (02) :129-136
[7]   CHAOTIC DYNAMICS IN SMALL INERT-GAS CLUSTERS - THE INFLUENCE OF POTENTIAL-ENERGY SADDLES [J].
HINDE, RJ ;
BERRY, RS .
JOURNAL OF CHEMICAL PHYSICS, 1993, 99 (04) :2942-2963
[8]   Transition state in atomic physics [J].
Jaffé, C ;
Farrelly, D ;
Uzer, T .
PHYSICAL REVIEW A, 1999, 60 (05) :3833-3850
[9]  
Keck J. C., 1967, ADV CHEM PHYS, V13, P85
[10]   Regularity in chaotic reaction paths.: I.: Ar6 [J].
Komatsuzaki, T ;
Berry, RS .
JOURNAL OF CHEMICAL PHYSICS, 1999, 110 (18) :9160-9173