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Small Matrix Path Integral for Driven Dissipative Dynamics

Nancy Makri

2021The Journal of Physical Chemistry A29 citationsDOI

Abstract

The small matrix decomposition of the quasi-adiabatic propagator path integral (SMatPI) for a system coupled to a harmonic bath, which accounts for multitime memory correlations in the influence functional without the use of tensors, is extended to include a time-dependent term that drives the system. In the case of a periodic field, the algorithm requires the construction of SMatPI matrices initialized over a short time interval. The SMatPI algorithm circumvents the large array storage of tensor-based iterative path integral decompositions and, in the case of a periodic field, also eliminates the demanding tensor multiplication at each time step, leading to dramatic savings which allow the fully quantum mechanical treatment of multistate systems and long-memory environments.

Topics & Concepts

PropagatorPath integral formulationMatrix multiplicationPath (computing)Tensor (intrinsic definition)Matrix (chemical analysis)Dissipative systemAdiabatic processMathematicsField (mathematics)Mathematical analysisQuantumApplied mathematicsComputer sciencePhysicsQuantum mechanicsPure mathematicsMathematical physicsProgramming languageComposite materialMaterials scienceQuantum, superfluid, helium dynamicsSpectroscopy and Quantum Chemical StudiesAstrophysics and Star Formation Studies