Welcome to the documentation of PyRET
PyRET stands for Python code for calculation of resonance energy transfer (RET). It is a code that captures radiative and non-radiative RET processes between localized defects in solids.
PyRET works with wavefunctions generated by plane-wave DFT codes such as Quantum ESPRESSO. It can be coupled with quantum defect embedding theory, for example as implemented in WEST to capture the effect of multireference energy eigenstates of defects. It can capture the photon modes in a fully general and quantized multipolar basis. It captures the light matter interaction using the generalized Pauli-Fierz Hamiltonian which includes both orbital and spin parts of the many-electron states.
PyRET is parallelized using mpi4py.
PyRET is developed at the University of Chicago and Argonne National Laboratory. The development of PyRET is supported by the U.S. Department of Energy, Office of Science, for support of microelectronics research at the Extreme Lithography & Materials Innovation Center (ELMIC), under Contract No. DE-AC0206CH11357. Development of PyRET is a result of an active collaborative partnership between microelectronics research and MICCoM.
- Installation
Instructions on how to install the PyRET package.
- Tutorial
Demonstration of usage of PyRET with wavefunctions from various DFT codes.
- Documentation
Detailed documentation of the PyRET package.
- Credits
Acknowledgements and credits for the development of PyRET.