Communication: Systematic elimination of Stokes divergences emanating from complex phase space caustics.

نویسندگان

  • Werner Koch
  • David J Tannor
چکیده

Stokes phenomenon refers to the fact that an asymptotic expansion of complex functions can differ in different regions of the complex plane, and that beyond the so-called Stokes lines the expansion has an unphysical divergence. An important special case is when the Stokes lines emanate from phase space caustics of a complex trajectory manifold. In this case, symmetry determines that to second order there is a double coverage of the space, one portion of which is unphysical. Building on the seminal but laconic findings of Adachi, we show that the deviation from second order can be used to rigorously determine the Stokes lines and therefore the region of the space that should be removed. The method has applications to wavepacket reconstruction from complex valued classical trajectories. With a rigorous method in hand for removing unphysical divergences, we demonstrate excellent wavepacket reconstruction for the Morse, Quartic, Coulomb, and Eckart systems.

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عنوان ژورنال:
  • The Journal of chemical physics

دوره 148 10  شماره 

صفحات  -

تاریخ انتشار 2018