The iDEA Code The iDEA CodeThe iDEA code (interacting Dynamic Electrons Approach) is a Python software suite originally developed in Rex Godby's group at the University of York from 2010. It has a central role in a number of research projects related to multi-particle quantum mechanics for electrons in matter. The iDEA code has recently been released as open-source software: see below for links to download or explore the code and its documentation.
iDEA's main features are:
iDEA code contributors up to 2021 (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.
The iDEA code has recently (July 2022) been released as an open-source project on GitHub, under the guidance of lead developers Jack Wetherell and Matt Hodgson. To obtain the code, or for tutorials, documentation and support, please visit that web site.
Video introductions to the iDEA code, by Jack Wetherell and Matt Hodgson respectively.
Page updated August 2022
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
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
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
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, Journal of Chemical Theory and Computation 17 1390 (2021). 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, Physical Review B 103 125155 (2021). Further information
20. "Exact expressions for the height of the interatomic step in the exchange-correlation potential from the derivative discontinuity of the energy", M.J.P. Hodgson, Physical Review A 104 032803 (2021). Further information
21. "Accurate total energies from the adiabatic-connection fluctuation-dissipation theorem", N.D. Woods, M.T. Entwistle and R.W. Godby, Physical Review B 104 125126 (2021). Further information