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Issue 145: Documentation Update#153

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typhonshambo wants to merge 6 commits intotheochem:mainfrom
typhonshambo:issue-145-doc-update
Closed

Issue 145: Documentation Update#153
typhonshambo wants to merge 6 commits intotheochem:mainfrom
typhonshambo:issue-145-doc-update

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@typhonshambo
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Added mathematical formulations based on plain-vanilla Richardson-Gaudin and the picket-fence Richardson-Gaudin model along with examples, behaviour of wavefunction for large systems (| ⟨Ψ(0) | Ψ(g)⟩ |→0)

- Added Mathematical formulations
- Added code examples with HamRG
@RichRick1
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Hi there! Thanks for the contribution, it looks really good.

For the tutorials we usually ask for the Jupyter notebook that shows the usage of MoHa package and showcases some properties of the hamiltonians we are working with. For example you use Picket Fence model here. It may be a good idea to do something easy as show that energy levels of Hamiltonian build using MoHa package are evenly space (that's where the name is coming from ), or you can dive deeper and provide some examples of phase transition.

- Included examples showing that the energy levels of the Hamiltonian are evenly spaced.
- Phase transitions by varying the coupling strength `g`.
- Plotted energy levels and ground state energy as a function of coupling strength.
@typhonshambo
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It may be a good idea to do something easy as show that energy levels of Hamiltonian build using MoHa package are evenly space

Added this!

@PaulWAyers PaulWAyers requested a review from RichRick1 March 16, 2025 18:01
@RichRick1
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@typhonshambo good job!
I think that we need to use pyscf package to solve the hamiltonian exactly, not just diagonalize the electron intergrals

Add proper handling of two-body integrals and fallback to direct matrix construction when needed
@typhonshambo
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typhonshambo commented Mar 25, 2025

I have added PySCF's FCI solver to solve the hamiltonian exactly. However, if FCI fails somehow, we can rely on direct diagonalization.

I think adding, the general RG model with an example or few and then jumping in Picket-Fence Model like I'm doing currently would be better, as it's the specialised case of RG.

- Standard RG model is also discussed before discussion on picket-fence
- Fix some calculation in consistency in phase transition
- Add Diagnostic Data Table for Phase Transitions Analysis
@typhonshambo
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hi @RichRick1! I think this is in a good state now; I have added a full description of the standard Richardson-Gaudin Model along with the Picket-Fence.

@typhonshambo
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@PaulWAyers @RichRick1 Are any updates on this required from my side?

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