The iDEA code (interacting Dynamic Electrons Approach) is a Python software suite (with Cython extensions) 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 SchrÃ¶dinger equation, including exact exchange and correlation
- Exact solution of the many-particle time-dependent SchrÃ¶dinger 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
- Established and novel localisation measures
- Many-body perturbation theory

Publications based on the iDEA code so far:

1. "Exact time-dependent density-functional potentials for strongly correlated tunneling electrons", M.J.P. Hodgson, J.D. Ramsden, J.B.J. Chapman, P. Lillystone, and R.W. Godby, Physical Review B (Rapid Communications) ** 88** 241102(R) (2013) [4 pages]. Further information

2. "Role of electron localization in density functionals", M.J.P. Hodgson, J.D. Ramsden, T.R. Durrant and R.W. Godby, Physical Review B (Rapid Communications) **90** 241107(R) (2014) [4 pages]. Further information

3. "Origin of static and dynamic steps in exact Kohn-Sham potentials", M.J.P. Hodgson, J.D. Ramsden and R.W. Godby, Physical Review B **93** 155146 (2016) [11 pages] (Editors' Suggestion). Further information

4. "Local density approximations from finite systems", M.T. Entwistle, M.J.P. Hodgson, J. Wetherell, B. Longstaff, J.D. Ramsden and R.W. Godby, Physical Review B **94** 205134 (2016) [11 pages]. Further information

5. "Electron localisation in static and time-dependent one-dimensional model systems", T.R. Durrant, M.J.P. Hodgson, J.D. Ramsden and R.W. Godby,
Journal of Physics: Condensed Matter **30** 065901 (2018) [6 pages]. Further information

6. "*GW* self-screening error and its correction using a local density functional", J. Wetherell, M.J.P. Hodgson and R.W. Godby, Physical Review B (Rapid Communications) **97** 121102(R) (2018) [5 pages].
Further information

7. "Measuring adiabaticity in non-equilibrium quantum systems", A.H. Skelt, R.W. Godby and I. D'Amico,
Physical Review A **98** 012104 (2018).
Further information

8. "Metrics for two electron random potential systems", A.H. Skelt, R.W. Godby and I. D'Amico, to appear. Further information

9. "Accuracy of electron densities obtained via Koopmans-compliant hybrid functionals",
A.R. Elmaslmane, J. Wetherell, M.J.P. Hodgson, K.P. McKenna and R.W. Godby,
Physical Review Materials **2** 040801(R) (Rapid Communications) (2018).
Further information

10. "Comparison of local density functionals based on electron gas and finite systems",
M.T. Entwistle, M. Casula and R.W. Godby,
Physical Review B **97** 235143 (2018).
Further information

*iDEA Contributors (listed alphabetically): 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*

Updated July 2018

Back to Rex Godby's home page