Code for simulating nonlinear optical spectroscopies of closed and open systems
To try ufss without installing or downloading the repository,
follow this link to see examples using the Diagram Generator:
https://colab.research.google.com/github/peterarose/ufss/blob/master/DiagramGeneratorExample_Colab.ipynb
and this link to see examples using the Hamiltonian/Liouvillian Generator and open UF2:
coming soon
(Note: Google's Coloaboratory gives a warning message about running Jupyter notebooks not authored by Google. When prompted by the warning, select "RUN ANYWAY", and then click "YES" when it asks you if you would like to reset all runtimes)
pip install ufss
(Note: ufss is only written for python 3, so you may need to run pip3 install ufss if pip points to python 2 on your machine)
Visualizing Feynman diagrams requires a TeX distribution
Contains 4 separate modules:
- Diagram Generator (DG) - tool for automatically generating all Feynman diagrams for arbitrary order nonlinear optical spectroscopies
- Ultrafast Ultrafast (UF2) - fast algorithm for calculating individual Feynman diagrams including arbitrary pulse shapes
- for closed systems: class Wavepackets in UF2_core.py
- for open systems: class DensityMatrices in UF2_open_core.py
- Runga-Kutta-Euler (RKE) - alternative algorithm for calculating individual Feynman diagrams including arbitrary pulse shapes
- for closed systems: currently broken
- for open systems: class RKE_DensityMatrices in RKE_open_core.py
- Hamiltonian/Liouvillian Generator (HLG) - tool for generating vibronic Hamiltonians and (optionally) Liouvillians from simple parameter inputs
This code depends upon the following packages: numpy,matplotlib,pyfftw,scipy>=1,pyyaml,pyx
To get started with this code, clone this repo and have a look at the four jupyter notebooks contained within. They give examples of working with the diagram generator and generating spectroscopic signals. They also show how to generate figures in the manuscripts describing UFSS.
[1] Peter A. Rose and Jacob J. Krich, "Automatic Feynman diagram generation for nonlinear optical spectroscopies", arXiv:2008.05081
[2] Peter A. Rose and Jacob J. Krich, "Efficient numerical method for predicting nonlinear optical spectroscopies of open systems", arXiv:2008.05082