C. A. A. de Carvalho, R. M. Cavalcanti, E. S. Fraga, S. E. Joras
We present a simple method to deal with caustics in the semiclassical approximation to the thermal density matrix of a particle moving on the line. For simplicity, only its diagonal elements are considered. The only ingredient we require is the knowledge of the extrema of the Euclidean action. The procedure makes use of complex trajectories, and is applied to the quartic double-well potential.
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A uniform approximation for the coherent state propagator, valid in the vicinity of phase space caustics, was recently obtained using the Maslov method combined with a dual representation for coherent states. In this paper we review the derivation of this formula and apply it to two model systems: the one-dimensional quartic oscillator and a two-dimensional chaotic system.
The semiclassical formula for the quantum propagator in the coherent state representation $<\mathbf{z}'' | e^{-i\hat{H}T/\hbar} | \mathbf{z}'>$ is not free from the problem of caustics. These are singular points along the complex classical trajectories specified by $\mathbf{z}'$, $\mathbf{z}''$ and $T$ where the usual quadratic approximation fails, leading to divergences in the semiclassical formula. In this paper we derive third order approximations for this propagator that remain finite in the vicinity of caustics. We use Maslov's method and the dual representation proposed in Phys. Rev. Let…
The quantum Hamiltonian generates in time a family of evolution operators. Continuity of this family holds within any choice of representation and, in particular, for the Weyl propagator, even though its simplest semiclassical approximation may develop caustic singularities. The phase jumps of the Weyl propagator across caustics have not been previously determined. The semiclassical appproximation relies on individual classical trajectories together with their neighbouring tangent map. Based on the latter, one defines a continuous family of unitary tangent propagators, with an exact Weyl repre…
The semiclassical Wigner function for a Bohr-quantized energy eigenstate is known to have a caustic along the corresponding classical closed phase space curve in the case of a single degree of freedom. Its Fourier transform, the semiclassical chord function, also has a caustic along the conjugate curve defined as the locus of diameters, i.e. the maximal chords of the original curve. If the latter is convex, so is its conjugate, resulting in a simple fold caustic. The uniform approximation through this caustic, that is here derived, describes the transition undergone by the overlap of the state…
As examples of quantum-"classical" coupling systems, multi-component systems are studied by semiclassical evaluations of the Feynman kernels in the coherent-state representation. From the observation of the phase space caustics due to the presence of the internal degree of freedom (IDF), two phenomena are explained in terms of the semiclassical theory: (1) The quantum oscillations of the IDF induce quantum interference patterns in the Hushimi representation; (2) Chaotic dynamics destroys the coherence of the quantum oscillations.
The semiclassical formula for the coherent-state propagator is written in terms of complex classical trajectories of an equivalent classical system. Depending on the parameters involved, more than one trajectory may contribute to the calculation. Eventually, however, two contributing trajectories coalesce, characterizing what is called phase space caustic. In this case, the usual semiclassical formula for the propagator diverges, so that a uniform approximation is required to avoid this singularity. In this paper, we present a non-trivial application illustrating this scenario, and showing the…
We present a simple method to deal with caustics in the semiclassical approximation to the partition function of a one-dimensional quantum system. The procedure, which makes use of complex trajectories, is applied to the quartic double-well potential.
Using phase-space complexification, an Initial Value Representation (IVR) for the semiclassical propagator in position space is obtained as a composition of inverse Segal-Bargmann (S-B) transforms of the semiclassical coherent state propagator. The result is shown to be free of caustic singularities and identical to the Herman-Kluk (H-K) propagator, found ubiquitously in physical and chemical applications. We contrast the theoretical aspects of this particular IVR with the van Vleck-Gutzwiller (vV-G) propagator and one of its IVRs, often employed in order to evade the non-linear "root-search" …
Employing the path integral approach, we calculate the semiclassical equilibrium density matrix of a particle moving in a nonlinear potential field for coordinates near the top of a potential barrier. As the temperature is decreased, near a critical temperature $T_c$ the harmonic approximation for the fluctuation path integral fails. This is due to a caustic arising at a bifurcation point of the classical paths. We provide a selfconsistent scheme to treat the large quantum fluctuations leading to a nonlinear fluctuation potential. The procedure differs from methods used near caustics of the re…
A new uniform asymptotic approximation for the Wigner $6j$ symbol is given in terms of Wigner rotation matrices ($d$-matrices). The approximation is uniform in the sense that it applies for all values of the quantum numbers, even those near caustics. The derivation of the new approximation is not given, but the geometrical ideas supporting it are discussed and numerical tests are presented, including comparisons with the exact $6j$-symbol and with the Ponzano-Regge approximation.
We present an Initial Value Representation for the semiclassical coherent state propagator based on complex trajectories. We map the complex phase space into a real phase space with twice as many dimensions and use a simple procedure to automatically eliminate non-contributing trajectories. The resulting semiclassical formulas do not show divergences due to caustics and provide accurate results.
We propose a conjugate application of the Bargmann representation of quantum mechanics. Applying the Maslov method to the semiclassical connection formula between the two representations, we derive a uniform semiclassical approximation for the coherent state propagator which is finite at phase space caustics.
We present a semiclassical analysis of the quantum propagator of a particle confined on one side by a steeply, monotonically rising potential. The models studied in detail have potentials proportional to $x^α$ for $x>0$; the limit $α\to\infty$ would reproduce a perfectly reflecting boundary, but at present we concentrate on the cases $α=1$ and 2, for which exact solutions in terms of well known functions are available for comparison. We classify the classical paths in this system by their qualitative nature and calculate the contributions of the various classes to the leading-order semiclassic…
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