Published December 21, 2014 | Version v1
Journal article

Non-stochastic matrix Schrödinger equation for open systems

  • 1. Chemical Physics Theory Group, Department of Chemistry, University of Toronto, Toronto, Ontario M5S 3H6 (Canada)
  • 2. Department of Physical and Environmental Sciences, University of Toronto Scarborough, Toronto, Ontario M1C 1A4 (Canada)

Description

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^=mm. 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

Additional details

Identifiers

Publishing Information

Journal Title
Journal of Chemical Physics
Journal Volume
141
Journal Issue
23
Journal Page Range
p. 234112-234112.5
ISSN
0021-9606
CODEN
JCPSA6

Optional Information

Notes
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