iDEA code logo (design: Leopold Talirz)  The iDEA Code

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 multi-particle quantum mechanics for electrons in matter.

iDEA's main features are:

*Density-functional theory, and time-dependent density-functional theory

iDEA code 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.

iDEA Video Matt iDEA Video Video introductions to the iDEA code, by Jack Wetherell and Matt Hodgson respectively.

Python.org NumPy SciPy.org Matplotlib.org Cython.org Jupyter.org   Page updated February 2021


Publications based on the iDEA code so far:

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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). 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). 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) (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). Further information

5. "How Interatomic Steps in the Exact Kohn–Sham Potential Relate to Derivative Discontinuities of the Energy", M.J.P. Hodgson, Eli Kraisler, Axel Schild and E.K.U. Gross, Journal of Physical Chemistry Letters 8 5974–5980 (2017). Further information Accompanying video by Matt Hodgson

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6. "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). Further information

7. "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). Further information

8. "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

9. "Metrics for two electron random potential systems", A.H. Skelt, R.W. Godby and I. D'Amico, Brazilian Journal of Physics 48 467–471 (2018). Further information

10. "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

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11. "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

12. "Advantageous nearsightedness of many-body perturbation theory contrasted with Kohn-Sham density functional theory", J. Wetherell, M.J.P. Hodgson, L. Talirz and R.W. Godby, Physical Review B 99 045129 (2019). Further information Accompanying video by Jack Wetherell

13. "Exact exchange-correlation kernels for optical spectra of model systems", M.T. Entwistle and R.W. Godby, Physical Review B (Rapid Communications) 99 161102(R) (2019). Further information

14. "Accurate real-time evolution of electron densities and ground-state properties from generalized Kohn-Sham theory", M.J.P. Hodgson and J. Wetherell, Physical Review A 101 032502 (2020). Further information Accompanying video by Matt Hodgson

15. "Exact non-adiabatic part of the Kohn-Sham potential and its fluidic approximation", M.T. Entwistle and R.W. Godby, Physical Review Materials 4 035002 (2020). Further information

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16. "Insights into one-body density matrices using deep learning", Jack Wetherell, Andrea Costamagna, Matteo Gatti and Lucia Reining, Faraday Discussions 224 126 (2020). Further information

17. "From Kohn-Sham to many-electron energies via step structures in the exchange-correlation potential", Eli Kraisler, M.J.P. Hodgson and E.K.U. Gross, arXiv (2020). Further information

18. "Exact exchange-correlation potentials for calculating the fundamental gap with a fixed number of electrons", M.J.P. Hodgson, J. Wetherell and Emmanuel Fromager, Physical Review A 103 012806 (2021). Further information

19. "Insights from exact exchange-correlation kernels", N.D. Woods, M.T. Entwistle and R.W. Godby, submitted. Further information


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