A semiclassical theory of multidimensional tunneling is formulated to calculate the tunneling wave function, energy splitting in a double well and decay rate constant from a metastable state. First, the tunneling wave function is calculated by analytic continuation of a quantized torus prepared in analytic forms using either the Chapman–Garrett–Miller method or the Birkhoff–Gustavson normal form method. For a weakly nonintegrable system, tunnelings are confirmed to be classified into two qualitatively different domains; pure tunneling in the I region and mixed tunneling in the C region. Semiclassical wave functions agree with quantum mechanical ones within a few percent both in classically allowed and tunneling regions. Breakdown of this simple picture is exemplified for cases of relatively strong couplings. Second, expressions of the tunneling energy splitting in a double well potential and the decay rate from a metastable state are derived. The wave function near a well formulated above is connected with the semiclassical Green’s function in the deep tunneling region. The latter is expressed by complex trajectories which start from the complex quantized torus. A preliminary numerical comparison with the quantum mechanical value is also done for the energy splitting.
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8 March 1996
Research Article|
March 08 1996
Multidimensional tunneling in terms of complex classical mechanics: Wave functions, energy splittings, and decay rates in nonintegrable systems
Shoji Takada
Shoji Takada
Division of Theoretical Studies, Institute for Molecular Science, Myodaiji, Okazaki 444, Japan
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J. Chem. Phys. 104, 3742–3759 (1996)
Article history
Received:
September 12 1995
Accepted:
November 29 1995
Citation
Shoji Takada; Multidimensional tunneling in terms of complex classical mechanics: Wave functions, energy splittings, and decay rates in nonintegrable systems. J. Chem. Phys. 8 March 1996; 104 (10): 3742–3759. https://doi.org/10.1063/1.471029
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