iDEA

The iDEA code (interacting Dynamic Electrons Approach) is a Python-Cython software suite developed in Rex Godby’s group at the University of York since 2010. It has a central role in a number of research projects related to many-particle quantum mechanics for electrons in matter.

iDEA’s main features are:

  • Exact solution of the many-particle time-independent Schrödinger equation, including exact exchange and correlation
  • Exact solution of the many-particle time-dependent Schrödinger equation, including exact exchange and correlation
  • Simplicity achieved using spinless electrons in one dimension
  • An arbitrary external potential that may be time-dependent
  • Optimisation methods to determine the exact DFT/TDDFT Kohn-Sham potential and energy components
  • Implementation of various approximate functionals (established and novel) for comparison

iDEA Contributors: Sean Adamson, Jacob Chapman, Thomas Durrant, Razak Elmaslmane, Mike Entwistle, Rex Godby, Matt Hodgson, Piers Lillystone, Aaron Long, Robbie Oliver, James Ramsden, Ewan Richardson, Matthew Smith, Leopold Talirz and Jack Wetherell

iDEA is released under the MIT license