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UEGPY

UEGPY is a collection of python modules which can be combined to calculate various properties of the uniform electron gas (UEG). This was intended mostly for my own education but can evaluate useful things albeit in an incredibly suboptimal fashion.

Currently we can do:

  • Internal, potential and free energies for the the 3D-UEG as a function of temperature at various levels of approximation (ideal, Hartree--Fock and RPA.)
  • Dynamic properties such as density-density reposonse at any temperature.
  • Static and dynamic structure factors.

Most of these quantities can be calculated in the thermodynamic limit as well as for a finite number of electrons in the canonical and grand canonical ensemble.

This is a work in progress and probably full of bugs.

Parts of the code were stolen from Ethan Brown.

Documentation

Documentation is mostly in the form of function docstrings and is on readthedocs.

http://readthedocs.org/projects/uegpy/badge/?version=latest

LICENSE

GPL v3.0