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
- DOI
- 10.1063/1.4903829;
- arXiv
- arXiv:1408.6624v2;
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
INIS
- Country of Publication
- United States
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 46119191
- Subject category
- S71: CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS;
- Descriptors DEI
- DENSITY; DENSITY MATRIX; ENERGY LOSSES; MARKOV PROCESS; MIXED STATE; MIXED STATES; QUANTUM SYSTEMS; SCHROEDINGER EQUATION; TIME DEPENDENCE; VARIATIONAL METHODS; WAVE FUNCTIONS
- Descriptors DEC
- CALCULATION METHODS; DIFFERENTIAL EQUATIONS; EQUATIONS; FUNCTIONS; LOSSES; MATRICES; PARTIAL DIFFERENTIAL EQUATIONS; PHYSICAL PROPERTIES; QUANTUM STATES; STOCHASTIC PROCESSES; WAVE EQUATIONS
Optional Information
- Notes
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