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research article

Quantum molecular master equations

Bréchet, Sylvain  
•
Reuse, François  
•
Maschke, Klaus  
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2016
Physical Review A

We present the quantum master equations for midsize molecules in the presence of an external magnetic field. The Hamiltonian describing the dynamics of a molecule accounts for the molecular deformation and orientation properties, as well as for the electronic properties. In order to establish the master equations governing the relaxation of free-standing molecules, we have to split the molecule into two weakly interacting parts, a bath and a bathed system. The adequate choice of these systems depends on the specific physical system under consideration. Here we consider a first system consisting of the molecular deformation and orientation properties and the electronic spin properties and a second system composed of the remaining electronic spatial properties. If the characteristic time scale associated with the second system is small with respect to that of the first, the second may be considered as a bath for the first. Assuming that both systems are weakly coupled and initially weakly correlated, we obtain the corresponding master equations. They describe notably the relaxation of magnetic properties of midsize molecules, where the change of the statistical properties of the electronic orbitals is expected to be slow with respect to the evolution time scale of the bathed system.

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Type
research article
DOI
10.1103/PhysRevA.94.042505
Web of Science ID

WOS:000385239600005

Author(s)
Bréchet, Sylvain  
Reuse, François  
Maschke, Klaus  
Ansermet, Jean-Philippe  
Date Issued

2016

Publisher

American Physical Society

Published in
Physical Review A
Volume

94

Article Number

042505

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
LPMN  
Available on Infoscience
October 9, 2016
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/129697
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