fishbonett 🐟
About
fishbonett <')+++< is a Python package for propagating the dynamics of multi-site vibronic model systems that have fishbone-like configurations. The motivation of the fishbone-like configurations of this specific type of models is very simple; we would like to study the dynamics of electron-transfer or excitation-energy-transfer systems, in which each electronic or vibrational site is coupled to a bath.
Additional useful tools in the utility directory
boys_localization.py. A script that implements multi-state diabatization through the Boys localization method. Ref: J. Chem. Phys. 129, 244101 (2008).legendre_discretization.py. A tool that uses Legendre polynomials to discretize continuous spectral densities. Ref: Phys. Rev. B 92, 155126 (2015).golden_rule_rate.py. A tool to calculate the Fermi's golden rule reaction rate, given a spectral density, an electronic coupling, and a free energy.transfer_tensor_method.py. A tool that uses the transfer-tensor method to predict long-time dynamics of open quantum systems. Ref: Phys. Rev. Lett. 112, 110401 (2014).