Refactored Self-Energy implementation#31
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mauricioquintela wants to merge 4 commits intoxatu-code:masterfrom
Open
Refactored Self-Energy implementation#31mauricioquintela wants to merge 4 commits intoxatu-code:masterfrom
mauricioquintela wants to merge 4 commits intoxatu-code:masterfrom
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Commit implements a cleaner version of the self-energy contribution to the independent particle bands, as well as enabling outputing (to a file with extension .selfenergy) of the k-resolved self energy contribution to each band. Implementation is currently only implemented when the interactions are computed in real-space, although the generalization to reciprocal-space computation should be trivial.
Simple test
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This PR implements a refactored implementation of the Self-Energy contribution to the single particle bands following from arXiv:2510.25009, Eqs. 2.10-2.12.
The possibility of exporting the k-resolved self-energy contribution to each band is also present, accessible via the command line flag
-i. Including this flag, the code exports a.selfenergytext file withnklines and2*nbands + 3columns. Each line is organized asCurrent implementation is only defined for real-space calculations, with the generalization to reciprocal space being quite simple.