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Computing generic observables

Open agata-branczyk opened this issue 3 years ago • 0 comments

Is your feature request related to a problem? Please describe. It would be useful to be able to compute generic observables.

Describe the solution you'd like The ability to evaluate generic operators of the form X = \sum_\mu A_\mu \otimes B_\mu where A_\mu and B_\mu are weighted Pauli operators acting on the first and second halves of the partition respectively.

Additional context Some examples of observables that might be interesting are 1-body and 2-body matrices.

The 1-body matrices are used for:

  • electrostatic properties
  • electronic densities
  • molecular electrostatic potential

2-body matrices are used for:

  • orbital optimization
  • analysis of correlation functions

The combination of both is used in entanglement analysis.

agata-branczyk avatar Jan 31 '22 23:01 agata-branczyk