adcc
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Add tutorial-style notebooks to explain ADC theory
Sections for 0_basics:
- [x] Overview
- [x] Backends
- [ ] Theory (just a bit about the matrix structure, the ISR, similarity to MP, CC and CI ... no details just a working man's knowledge)
- [ ] Tweaks (convergence tolerance, subspace, threading, ...)
- [ ] Properties (What sort of properties adcc can compute, just an overview no details)
- [ ] Core excitations (A chapter focusing on CVS and core-excited states, XES, XAS, core space setup etc)
- [ ] Embedding and solvation
Other sections / topics:
- [ ] Dataframe export and visualisation
- [ ] In-depth discussion of ADC theory including equations (using the
einsumandTensorinterface of adcc to teach ADC methods to newcomers.) - [ ] Custom tensors and implementing equations (explain einsum etc.)
While we're on it, we should restructure the example files. Best would be to restructure according to topics (properties, plotting, X-ray) and put a readme in each subdirectory, which can be easily seen on github. From the adcc docs one could just link directly to these folders.