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GW-approximation

Reference Python implementation of GW

Dependencies:

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:
    1. Resolution of identity
    2. Contour deformation
    3. RPA for W
    4. evGW
  • Folder tests contains some sample calcuations

Author:

Alexander A. Kunitsa (UIUC)

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Reference implementation of GW

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