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Journal of Mathematical Physics

Real trajectories in complex-time method and barrier penetrationlike phenomena

Andrzej Radosz, W. Magierski

Published May 1, 1992• 5 citations
Publisher

Abstract

Various applications of the real trajectories in the complex-time method are discussed. It is shown that the proper way of summation over semiclassical orbits removes existing doubts and leads to the more general formulas than the standard WKB-type one in the energy eigenvalue problem. This method is also used in the description of explicitly time-dependent phenomena. In the problem of escaping from a metastable state, the estimation of a lifetime is in a good agreement with the inverse width of a false ground state energy.

DOI
10.1063/1.529651

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Various applications of the real trajectories in the complex-time method are discussed. It is shown that the proper way of summation over semiclassical orbits removes existing doubts and leads to the more general formulas than the standard WKB-type one in the energy eigenvalue problem. This method is also used in the description of explicitly time-dependent phenomena. In the problem of escaping from a metastable state, the estimation of a lifetime is in a good agreement with the inverse width of a false ground state energy.
The time independent semiclassical treatment of barrier tunneling has been understood for a very long time. Several semiclassical approaches to time dependent tunneling through barriers have also been presented. These typically involve trajectories for which the position variable is a complex function of time. In this paper, a method is presented that uses only real valued trajectories, thus avoiding the complications that can arise when complex trajectories are employed. This is accomplished by expressing the time dependent wave packet as an integration over momentum. The action function in the exponent in this expression is expanded to second order in the momentum. The expansion is around the momentum, p0(*) , at which the derivative of the real part of the action is zero. The resulting Gaussian integral is then taken. The stationary phase approximation requires that the derivative of the full action is zero at the expansion point, and this leads to a complex initial momentum and complex tunneling trajectories. The "pseudo-stationary phase" approximation employed in this work results in real values for the initial momentum and real valued trajectories. The transmission probabilities obtained are found to be in good agreement with exact quantum results.
We apply the quasilinearization method of Bellman and Kalaba [Quasilinearization and Nonlinear Boundary-Value Problems (Elsevier, New York, 1965)] to find approximate solutions for the multidimensional quantum tunneling for separable as well as nonseparable wave equations. By introducing the idea of the complex ``semiclassical trajectory'' which is valid for the motion over and under the barrier, and which, in the proper limit, reduces to the real classical trajectory in the allowed region, we obtain an eigenvalue equation for the characteristic wave numbers. This eigenvalue equation is similar to the corresponding equation obtained from the WKB approximation and yields complex eigenvalues with negative imaginary parts. When the barrier changes very rapidly as a function of the radial distance, we can replace the concept of the semiclassical trajectory, which may not be applicable in this case, by the concept of a complex ``quantum trajectory.'' The trajectory defined either way depends on a constant of integration, and by minimizing the action with respect to this constant we can obtain the minimum escape path. The case of two-dimensional tunneling is discussed as an example of this method.
We study the application of the semiclassical coherent-state path-integral technique to the problem of scattering. A numerical method based on initial-value trajectories and their stability information is proposed to solve the root search for the complex trajectories that determine the semiclassical propagator. Very good agreement between the numerically exact quantum and semiclassical results for the correlation function can be achieved for scattering from one-dimensional barrier as well as well-type potentials by using just one single complex trajectory at each time.
We present a significant improvement to a complex time-dependent WKB (CWKB) formulation developed by Boiron and Lombardi [J. Chem. Phys. 108, 3431 (1998)] in which the time-dependent WKB equations are solved along classical trajectories that propagate in complex space. Boiron and Lombardi showed that the method gives very good agreement with the exact quantum mechanical result as long as the wavefunction does not exhibit interference effects such as oscillations and nodes. In this paper, we show that this limitation can be overcome by superposing the contributions of crossing trajectories. Secondly, we demonstrate that the approximation improves when incorporating higher order terms in the expansion. Thirdly, equations of motion for caustics and Stokes lines are implemented to help overcome Stokes discontinuities. These improvements could make the CWKB formulation a competitive alternative to current time-dependent semiclassical methods.
Synopsis: It is rare that exact solutions for physical quantum systems are available, and likely that one or more types of perturbation theories need to be applied. Three time-independent, or static, methods are discussed. Using exact energy shift formulas, a result correct to second order for the perturbed system energy is derived and applied to a two-state system and a harmonic oscillator example. The WKB semiclassical approximation is motivated, and applications to barrier penetration and various types of bound-state problems are made. The third class of methods gives upper limit estimates of system ground-state properties based on energy functional variations.