Reference Python implementation of GW
Dependencies:
- Python 3 (version >= 3.6)
- Psi4 1.2 (please refer to http://vergil.chemistry.gatech.edu/nu-psicode/install-v1.2.html for installation instructions)
Brief description of the contents:
- GW_HF.ipynb contains a simple vanilla implementation of analytic GW@HF with a detailed review of theory and some derivations.
- RI-GW.ipynb implements RI approximation as well as SPA
- GW.py is a rather full-featured implementation of the GW class with the following capabilities:
- Resolution of identity
- Contour deformation
- RPA for W
- evGW
- Folder tests contains some sample calcuations
Author:
Alexander A. Kunitsa (UIUC)