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Non-stochastic matrix Schrödinger equation for open systems

Journal Article · · Journal of Chemical Physics
DOI:https://doi.org/10.1063/1.4903829· OSTI ID:22413328
We propose an extension of the Schrödinger equation for a quantum system interacting with environment. This extension describes dynamics of a collection of auxiliary wavefunctions organized as a matrix m, from which the system density matrix can be reconstructed as ρ{sup ^}=mm{sup †}. We formulate a compatibility condition, which ensures that the reconstructed density satisfies a given quantum master equation for the system density. The resulting non-stochastic evolution equation preserves positive-definiteness of the system density and is applicable to both Markovian and non-Markovian system-bath treatments. Our formalism also resolves a long-standing problem of energy loss in the time-dependent variational principle applied to mixed states of closed systems.
OSTI ID:
22413328
Journal Information:
Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 23 Vol. 141; ISSN JCPSA6; ISSN 0021-9606
Country of Publication:
United States
Language:
English

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