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A Simple Solution to Trivial Crossings: A Stochastic State Tracking Approach

Authors :
Story Temen
Alexey V. Akimov
Source :
The Journal of Physical Chemistry Letters. 12:850-860
Publication Year :
2021
Publisher :
American Chemical Society (ACS), 2021.

Abstract

We present a new state tracking algorithm based on a stochastic state reassignment that reflects the quantum mechanical interpretation of the state time-overlaps. We assess the new method with a range of model Hamiltonians and demonstrate that it yields the results generally consistent with the deterministic min-cost algorithm. However, the stochastic state tracking algorithm reduces magnitudes of the state population fluctuations as the quantum system evolves toward its equilibrium. The new algorithm facilitates the thermalization of quantum state populations and suppresses the population revivals and oscillations near the equilibrium in many-state systems. The new stochastic algorithm has a favorable computational scaling, is easy to implement due to its conceptual transparency, and treats various types of state identity changes (trivial or avoided crossings and any intermediate cases) on equal footing.

Details

ISSN :
19487185
Volume :
12
Database :
OpenAIRE
Journal :
The Journal of Physical Chemistry Letters
Accession number :
edsair.doi.dedup.....f0d27104b194788fc58f6882f4eb6133
Full Text :
https://doi.org/10.1021/acs.jpclett.0c03428