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Time-dependent schrödinger equation with Markovian outgoing wave boundary conditions: Applications to quantum tunneling dynamics and photoionization
Journal article   Peer reviewed

Time-dependent schrödinger equation with Markovian outgoing wave boundary conditions: Applications to quantum tunneling dynamics and photoionization

Chia-Chun Chou and Robert E. Wyatt
International Journal of Quantum Chemistry, Vol.113(1), pp.39-44
05/01/2013

Abstract

open boundary conditions quantum tunneling strong field ionization wave packet dynamics
Markovian outgoing wave boundary conditions are introduced as an approximate method to reduce the size of the computational grid for time integration of the time-dependent Schrödinger equation. The ratio and polynomial methods developed as open boundary conditions are applied to the wave function at the boundaries of the computational grid. This computational method is used to study the wave packet dynamics for a metastable well, a double well, and strong-field ionization of a model atom. Accurate results demonstrate that this method can significantly reduce the number of grid points required in a dynamical calculation for quantum dynamical problems. © 2012 Wiley Periodicals, Inc.

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