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Jirí Vanícek

Publications and source records attributed to Jirí Vanícek.

5 recordsLinked to original sources

Dephasing representation of quantum fidelity for general pure and mixed states.

A general semiclassical expression for quantum fidelity (Loschmidt echo) of arbitrary pure and mixed states is derived. It expresses fidelity as an interference sum of dephasing trajectories weighed by the Wigner function of the initial state, and does not require that the initial state be localized in position or momentum. This general dephasing representation is special in that, counterintuitively, all of fidelity decay is due to dephasing and none is due to the decay of classical overlaps. Surprising accuracy of the approximation is justified by invoking the shadowing theorem: twice--both for physical perturbations and for numerical errors. Beyond justifying the approximation, the shadowing theorem makes the dephasing representation practical: without shadowing it would be impossible to find numerically the precise trajectories needed in a semiclassical approximation. It is shown how the general expression reduces to the previously known special forms for localized states. The superiority of the general over the specialized forms is explained and supported by numerical tests for wave packets, nonlocal pure states, and for simple and random mixed states. The tests are done in nonuniversal regimes in mixed phase space where detailed features of fidelity are important. Although semiclassically motivated, the present approach is valid for abstract systems with a finite Hilbert basis provided that the discrete Wigner transform is used. This makes the method applicable, via a phase-space approach, to problems of quantum computation.

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Quantum-instanton evaluation of the kinetic isotope effects.

A general quantum-mechanical method for computing kinetic isotope effects is presented. The method is based on the quantum-instanton approximation for the rate constant and on the path-integral Metropolis-Monte Carlo evaluation of the Boltzmann operator matrix elements. It computes the kinetic isotope effect directly, using a thermodynamic integration with respect to the mass of the isotope, thus avoiding the more computationally expensive process of computing the individual rate constants. The method should be more accurate than variational transition-state theories or the semiclassical instanton method since it does not assume a single tunneling path and does not use a semiclassical approximation of the Boltzmann operator. While the general Monte Carlo implementation makes the method accessible to systems with a large number of atoms, we present numerical results for the Eckart barrier and for the collinear and full three-dimensional isotope variants of the hydrogen exchange reaction H + H2 --> H2 + H. In all seven test cases, for temperatures between 250 and 600 K, the error of the quantum instanton approximation for the kinetic isotope effects is less than approximately 10%.

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Dephasing representation: Employing the shadowing theorem to calculate quantum correlation functions.

Due to the Heisenberg uncertainty principle, various classical systems differing only on the scale smaller than Planck's cell correspond to the same quantum system. We use this fact to find a unique semiclassical representation without the Van Vleck determinant, applicable to a large class of correlation functions expressible as quantum fidelity. As in the Feynman path integral formulation of quantum mechanics, all contributing trajectories have the same amplitude: that is why we denote it the "dephasing representation." By relating our approach to the problem of existence of true trajectories near numerically-computed chaotic trajectories, we make the approximation rigorous for any system in which the shadowing theorem holds. Numerical implementation only requires computing actions along the unperturbed trajectories and not finding the shadowing trajectories. While semiclassical linear-response theory was used before in quasi-integrable and chaotic systems, here its validity is justified in the most generic, mixed systems. Dephasing representation appears to be a rare practical method to calculate quantum correlation functions in nonuniversal regimes in many-dimensional systems where exact quantum computations are impossible.

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Semiclassical evaluation of quantum fidelity.

We present a numerically feasible semiclassical (SC) method to evaluate quantum fidelity decay (Loschmidt echo) in a classically chaotic system. It was thought that such evaluation would be intractable, but instead we show that a uniform SC expression not only is tractable but it also gives remarkably accurate numerical results for the standard map in both the Fermi-golden-rule and Lyapunov regimes. Because it allows Monte Carlo evaluation, the uniform expression is accurate at times when there are 10(70) semiclassical contributions. Remarkably, it also explicitly contains the "building blocks" of analytical theories of recent literature, and thus permits a direct test of the approximations made by other authors in these regimes, rather than an a posteriori comparison with numerical results. We explain in more detail the extended validity of the classical perturbation approximation and show that within this approximation, the so-called "diagonal approximation" is automatic and does not require ensemble averaging.

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Uniform semiclassical wave function for coherent two-dimensional electron flow.

We find a uniform semiclassical (SC) wave function describing coherent branched flow through a two-dimensional electron gas (2DEG), a phenomenon recently discovered by direct imaging of the current using scanned probed microscopy [M.A. Topinka, B.J. LeRoy, S.E.J. Shaw, E.J. Heller, R.M. Westervelt, K.D. Maranowski, and A.C. Gossard, Science 289, 2323 (2000)]. The formation of branches has been explained by classical arguments [M.A. Topinka, B.J. LeRoy, R.M. Westervelt, S.E.J. Shaw, R. Fleischmann, E.J. Heller, K.D. Maranowski, and A.C. Gossard, Nature (London) 410, 183 (2001)], but the SC simulations necessary to account for the coherence are made difficult by the proliferation of catastrophes in the phase space. In this paper, expansion in terms of "replacement manifolds" is used to find a uniform SC wave function for a cusp singularity. The method is then generalized and applied to calculate uniform wave functions for a quantum-map model of coherent flow through a 2DEG. Finally, the quantum-map approximation is dropped and the method is shown to work for a continuous-time model as well.

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