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Physics Letters A

From the coherent state path integral to a semiclassical initial value representation of the quantum mechanical propagator

Frank Großmann, Ademir Luiz Xavier Junior

Published Jul 1, 1998• 70 citations
Publisher
DOI
10.1016/s0375-9601(98)00265-5

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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.
The structure of the semiclassical Feynman kernel in the coherent state representation is studied.The analysis is focused on classically realizable (i.e.real-valued) trajectories, whose contributions to the semiclassical kernel persist in the limit → 0. A smooth deformation of the real-valued guiding trajectory that starts from the center of the "initial" coherent state and obeys the Hamilton equation induces complex-valued trajectories that contribute to the semiclassical kernel "linearized" around the guiding trajectory.The linearized semiclassical kernel describes Heller's Gaussian wavepacket dynamics (GWD).Two mechanisms that break the GWD approximation are studied in terms of the semiclassical coherent state path integral.The rate at which a caustic approaches the guiding trajectory is estimated.In addition, the deviation of the semiclassical kernel from a Gaussian shape is estimated, with the assumption that the influence of caustics is negligible.These results provide an estimation of departure times between classical and quantum evolutions.In particular, for classically integrable systems, the present argument elucidates that the departure time due to caustics is much larger than that due to the deviation from a Gaussian shape.Furthermore, a disagreement between the estimations of the departure times obtained from the Husimi representation and the Wigner representation is pointed out.
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〉,|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 ${\ensuremath{\sigma}}^{\ensuremath{'}}$ or ${\ensuremath{\sigma}}^{\ensuremath{''}}$ of the initial and final states $|{z}^{\ensuremath{'}}〉$ and $|{z}^{\ensuremath{''}}〉.$