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Fast, scalable master equation solution algorithms. IV. Lanczos iteration with diffusion approximation preconditioned iterative inversion

Frankcombe, Terry J.; Smith, Sean C.


In this paper we propose a second linearly scalable method for solving large master equations arising in the context of gas-phase reactive systems. The new method is based on the well-known shift-invert Lanczos iteration using the GMRES iteration preconditioned using the diffusion approximation to the master equation to provide the inverse of the master equation matrix. In this way we avoid the cubic scaling of traditional master equationsolution methods while maintaining the speed of a partial...[Show more]

CollectionsANU Research Publications
Date published: 2003-12-22
Type: Journal article
Source: The Journal of Chemical Physics
DOI: 10.1063/1.1628214


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