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Density matrices #11

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lelemmen opened this issue Sep 8, 2018 · 1 comment
Closed
3 tasks done

Density matrices #11

lelemmen opened this issue Sep 8, 2018 · 1 comment
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novel A novel feature addition to the project

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@lelemmen
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lelemmen commented Sep 8, 2018 •
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Implement density matrices (1-RDMs and 2-RDMs) as separate classes. Use a 'Builder' for derived classes that implement the formulas for:

We should also implement functions like

  • OneRDM.trace()
  • OneRDM.diagonalize()
  • TwoRDM.contract()
  • TwoRDM.trace()
@lelemmen lelemmen added the novel A novel feature addition to the project label Sep 8, 2018
@lelemmen lelemmen added this to the refactor milestone Sep 8, 2018
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Further discussions about the implementation of the RDMBuilder class is in #60.

@lelemmen lelemmen mentioned this issue Oct 18, 2018
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@lelemmen @tmhuysen