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iDEA Code Released! (No replies)
We are happy to announce that our iDEA code is now publicly available for free and ready to use.
iDEA (interacting Dynamic Electrons Approach) is a high-performance, user-friendly, free software framework in python, that serves as a sandbox for use in research and teaching projects related to many-body quantum mechanics.
Some of iDEA’s features:
- Exact solution of the many-electron problem by solving the static and time-dependent Schrödinger equation in one dimension, including exact exchange and correlation.
- Free choice of external potential that may be time-dependent, on a spatial grid, for any number of electrons with any spin configuration.
- Reverse-engineering to solve potential inversion, from exact Kohn-Sham DFT and beyond.
- Implementation of various approximate methods, including:
- Non-interacting electrons
- Hartree theory
- Restricted and unrestricted Hartree-Fock
- The Local Density Approximation (LDA)
- Hybrid functionals
- Implementation of all common observables.
- Fully parallelized using OpenBLAS.
- Fully parallelized for all cuda supporting GPUS.
We hope you will find this code useful and welcome any feedback via GitHub.
Best wishes,
Jack Wetherell and Matt Hodgson.
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