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Non-stochastic matrix Schrödinger equation for open systems

Published 28 Aug 2014 in physics.chem-ph | (1408.6624v2)

Abstract: We propose an extension of the Schr\"odinger equation for a quantum system interacting with environment. This equation describes dynamics of auxiliary wave-functions $\mathbf{m}$, from which the system density matrix can be reconstructed as $\hat{\rho} = \mathbf{m} \mathbf{m}\dagger$. 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 non-conservation in the time-dependent variational principle applied to mixed states of closed systems.

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