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Physical Review A

Semiclassical coherent-state propagator via path integrals with intermediate states of variable width

Fernando Parisio, Marcus A. M. de Aguiar

Published Dec 30, 2003• 10 citations
Publisher

Abstract

We derive a semiclassical approximation for the coherent state propagator $〈{z}^{\ensuremath{''}}|{e}^{\ensuremath{-}iHt/\ensuremath{\Elzxh}}|{z}^{\ensuremath{'}}〉$ using a path integral formulation in which the intermediate coherent states can have arbitrary widths. Our semiclassical formula involves complex trajectories of the smoothed Hamiltonian $\mathcal{H}(q,p,b)=〈z|\ifmmode \hat{H}\else \^{H}\fi{}|z〉$ where b, the width of the coherent state $|z〉,$ is a free function that can be chosen conveniently. The generality of this formalism enables us to derive a semiclassical approximation which contains, as particular cases, other similar approximations known in the literature, providing a natural link between them. We present numerical results showing that the semiclassical propagation can be very sensitive to the choice of b and we suggest an energy dependent value ${b=b}_{E}$ that results in considerable improvement over other choices. This value for the width will be generally different from the widths ${\ensuremath{\sigma}}^{\ensuremath{'}}$ or ${\ensuremath{\sigma}}^{\ensuremath{''}}$ of the initial and final states $|{z}^{\ensuremath{'}}〉$ and $|{z}^{\ensuremath{''}}〉.$

DOI
10.1103/physreva.68.062112

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We derive a semiclassical approximation for the coherent state propagator 〈z\ensuremath′′∣e\ensuremath−iHt/\ensuremath\Elzxh∣z\ensuremath′〉〈{z}^{\ensuremath{''}}|{e}^{\ensuremath{-}iHt/\ensuremath{\Elzxh}}|{z}^{\ensuremath{'}}〉〈z\ensuremath′′∣e\ensuremath−iHt/\ensuremath\Elzxh∣z\ensuremath′〉 using a path integral formulation in which the intermediate coherent states can have arbitrary widths. Our semiclassical formula involves complex trajectories of the smoothed Hamiltonian H(q,p,b)=〈z∣\ifmmodeH^\elseHˆ\fi∣z〉\mathcal{H}(q,p,b)=〈z|\ifmmode \hat{H}\else \^{H}\fi{}|z〉H(q,p,b)=〈z∣\ifmmodeH^\elseHˆ\fi∣z〉 where b, the width of the coherent state ∣z〉,|z〉,∣z〉, is a free function that can be chosen conveniently. The generality of this formalism enables us to derive a semiclassical approximation which contains, as particular cases, other similar approximations known in the literature, providing a natural link between them. We present numerical results showing that the semiclassical propagation can be very sensitive to the choice of b and we suggest an energy dependent value b=bE{b=b}_{E}b=bE​ that results in considerable improvement over other choices. This value for the width will be generally different from the widths \ensuremathσ\ensuremath′{\ensuremath{\sigma}}^{\ensuremath{'}}\ensuremathσ\ensuremath′ or \ensuremathσ\ensuremath′′{\ensuremath{\sigma}}^{\ensuremath{''}}\ensuremathσ\ensuremath′′ of the initial and final states ∣z\ensuremath′〉|{z}^{\ensuremath{'}}〉∣z\ensuremath′〉 and ∣z\ensuremath′′〉.|{z}^{\ensuremath{''}}〉.∣z\ensuremath′′〉.
We present a complete derivation of the semiclassical limit of the coherent-state propagator in one dimension, starting from path integrals in phase space. We show that the arbitrariness in the path integral representation, which follows from the overcompleteness of the coherent states, results in many different semiclassical limits. We explicitly derive two possible semiclassical formulae for the propagator, we suggest a third one, and we discuss their relationships. We also derive an initial-value representation for the semiclassical propagator, based on an initial Gaussian wavepacket. It turns out to be related to, but different from, Heller's thawed Gaussian approximation. It is very different from the Herman-Kluk formula, which is not a correct semiclassical limit. We point out errors in two derivations of the latter. Finally we show how the semiclassical coherent-state propagators lead to WKB-type quantization rules and to approximations for the Husimi distributions of stationary states.
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A semiclassical approximation to the time evolution of coherent states may be derived from a saddle point approximation to the exact quantum propagator, and in general it involves complex classical dynamics. We generalize previous one-dimensional results to ddd dimensions, and for the case d=2d=2d=2 we present several applications. We also consider other simple approximations that depend only on real classical trajectories, but are not initial value representations. These approximations are able to reproduce interference and tunneling effects and involve propagating a few classical initial conditions compatible with the quantum uncertainties.
In this work, we derived a semiclassical approximation for the matrix elements of a quantum propagator in coherent states (CS) basis that avoids complex trajectories; it only involves real ones. For that purpose, we used the symplectically invariant semiclassical Weyl propagator obtained by performing a stationary phase approximation (SPA) for the path integral in the Weyl representation. After that, for the transformation to CS representation SPA is avoided; instead a quadratic expansion of the complex exponent is used. This procedure also allows us to express the semiclassical CS propagator uniquely in terms of the classical evolution of the initial point without the need of any root search typical of van Vleck--Gutzwiller-based propagators. For the case of chaotic Hamiltonian systems, the explicit time dependence of the CS propagator has been obtained. The comparison with a realistic chaotic system that derives from a quadratic Hamiltonian, the cat map, reveals that the expression here derived is exact up to quadratic Hamiltonian systems.
We construct a representation of the coherent state path integral using the Weyl symbol of the Hamiltonian operator. This representation is very different from the usual path integral forms suggested by Klauder and Skagerstam (1985 Coherent States: Applications in Physics and Mathematical Physics (Singapore: World Scientific)), which involve the normal or the antinormal ordering of the Hamiltonian. These different representations, although equivalent quantum mechanically, lead to different semiclassical limits. We show that the semiclassical limit of the coherent state propagator in the Weyl representation involves classical trajectories that are independent of the width of coherent states. This propagator is also free from the phase corrections found in Baranger et al ( 2001 J. Phys. A: Math. Gen. 34 7227 ) for the two Klauder forms and provides an explicit connection between the Wigner and the Husimi representations of the evolution operator.
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.