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Phys Rev Lett. 2011 Jul 15;107(3):030401. Epub 2011 Jul 11.

Scattered wave packet formalism with markovian outgoing wave boundary conditions for open quantum systems.

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Institute for Theoretical Chemistry and Department of Chemistry and Biochemistry, The University of Texas at Austin, Austin, Texas 78712, USA.


The scattered wave formalism is developed for a quantum subsystem interacting with the external environment through open boundaries. The total wave function is divided into incident and scattered components and Markovian outgoing wave boundary conditions are applied to the scattered wave function. This formalism significantly reduces the computational effort relative to other methods which rely on Green functions and memory kernels. The method is applied to one-dimensional barrier scattering and to a three-dimensional model for the field effect transistor.

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