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pyrho: a python package for reduced density matrix techniques

DOI

Authors

Timothy Berkelbach

Instructions

The parent directory of pyrho must be in $PYTHONPATH, enabling import pyrho.

Contents

  • README.md

  • ehrenfest/

    Module for classically-sampled, trajectory-based Ehrenfest dynamics

  • ham/

    Module for system-bath Hamiltonians

  • heom/

    Module for Hierarchical Equations of Motion

  • integrate/

    Module for generic RK4-style time-dependent integrators

  • lib/

    Module for miscellaneous tools, including physical constants and utility functions

  • redfield/

    Module for Redfield and related second-order dynamical perturbation theories in the system-bath coupling strength

  • spec/

    Module for spectroscopies, based on any underlying Dynamics class with a Dynamics.propagate() method

  • tcf/

    Module for equilibrium time correlation functions, currently only works for HEOM (in v1.0)

  • examples/

    Example driver scripts for setting up a Hamiltonian and calculating reduced system dynamics

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a python package for reduced density matrix techniques

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  • Python 100.0%