The iDEA code 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 many-particle quantum mechanics for electrons in matter.

iDEA's main features are:

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

iDEA Video A video by Jack Wetherell, based on publication 12 below, includes a tutorial-style introduction to the iDEA code.

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 June 2019 Python.org NumPy SciPy.org Matplotlib.org Cython.org Jupyter.org

Publications based on the iDEA code so far:

Paper 871. "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

Paper 902. "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

Paper 913. "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

Paper 924. "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

How Interatomic Steps5. "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

Paper 936. "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

Paper 947. "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

Paper 958. "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

Paper 969. "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

Paper 9710. "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

Paper 9811. "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

Paper 9912. "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 Video talk

Paper 10013. "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


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