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nmayhall-vt / UnitaryPruning

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Particle Number violation #5

Open nmayhall-vt opened 2 years ago

nmayhall-vt commented 2 years ago

It's possible that the large errors I'm seeing are coming from particle number violations. We could deal with this by:

  1. don't start off the tree with the integral value, so that you just directly compute 1/2 rdms. Then rescale the 1rdm
  2. add particle number as constraint
nmayhall-vt commented 1 year ago

maybe use this paper that Eugene mentioned for QIS for cleaning up my approximate rdms: https://iopscience.iop.org/article/10.1088/1367-2630/aab919/pdf

nmayhall-vt commented 1 year ago

which originally came from this: https://aip.scitation.org/doi/10.1063/1.4994618