Development and Numerical Analysis of "Black-box" Counterpropagating Wave Algorithm for Exact Quantum Scattering Calculations
| dc.creator | Poirier, Bill | |
| dc.date | 2008-03-03 | |
| dc.date.accessioned | 2026-07-07T09:24:24Z | |
| dc.date.available | 2026-07-07T09:24:24Z | |
| dc.description | In a recent series of papers [J. Chem. Phys. 121 4501 (2004), J. Chem. Phys. 124 034115 (2006), J. Chem. Phys. 124 034116 (2006)] a bipolar counter-propagating wave decomposition, Psi = Psi+ + Psi-, was presented for stationary bound states Psi of the one-dimensional Shrodinger equation, such that the components Psi+- approach their semiclassical WKB analogs in the large action limit. The corresponding bipolar quantum trajectories are classical-like and well-behaved, even when Psi has many nodes, or is wildly oscillatory. In this paper, the earlier results are used to construct a universal ``black-box'' algorithm, numerically robust, stable and efficient, for computing accurate scattering quantities of any quantum dynamical system in one degree of freedom. | |
| dc.description | 14 pages, 3 figures | |
| dc.identifier | https://arxiv.org/abs/0803.0309 | |
| dc.identifier | http://arxiv.org/abs/0803.0309 | |
| dc.identifier | B. Poirier, J. Theoret. Comput. Chem. 6, 99-125 (2007) | |
| dc.identifier.uri | http://salesiana.dossiersoluciones.com/handle/123456789/156083 | |
| dc.subject | Quantum Physics | |
| dc.title | Development and Numerical Analysis of "Black-box" Counterpropagating Wave Algorithm for Exact Quantum Scattering Calculations | |
| dc.type | text |