To facilitate the search for isochrones when using complex-valued trajectory methods for quantum barrier scattering calculations, the structure and shape of isochrones in the complex plane were studied. Isochrone segments were categorized based on their distinguishing features, which are shared by each situation studied: High and low energy wave packets, scattering from both thick and thin Gaussian and Eckart barriers of varying height. The characteristic shape of the isochrone is a trifurcated system: Trajectories that transmit the barrier are launched from the lower branch (T), while the middle and upper branches form the segments for reflected trajectories (F and B). In addition, a model is presented for the curved section of the lower branch (from which transmitted trajectories are launched), and important features of the complex extension of the initial wave packet are identified.
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7 March 2008
Research Article|
March 04 2008
Barrier scattering with complex-valued quantum trajectories: Taxonomy and analysis of isochrones
Julianne K. David;
Julianne K. David
a)
Institute for Theoretical Chemistry and Department of Chemistry and Biochemistry,
The University of Texas at Austin
, 1 University Station A5300, Austin, Texas 78712, USA
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Robert E. Wyatt
Robert E. Wyatt
Institute for Theoretical Chemistry and Department of Chemistry and Biochemistry,
The University of Texas at Austin
, 1 University Station A5300, Austin, Texas 78712, USA
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a)
Tel.: (512) 471-0238. Electronic mail: [email protected].
J. Chem. Phys. 128, 094102 (2008)
Article history
Received:
August 10 2007
Accepted:
December 18 2007
Citation
Julianne K. David, Robert E. Wyatt; Barrier scattering with complex-valued quantum trajectories: Taxonomy and analysis of isochrones. J. Chem. Phys. 7 March 2008; 128 (9): 094102. https://doi.org/10.1063/1.2834223
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