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Computing generic observables #12

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agata-branczyk opened this issue Jan 31, 2022 · 0 comments
Open

Computing generic observables #12

agata-branczyk opened this issue Jan 31, 2022 · 0 comments
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enhancement New feature or request

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@agata-branczyk
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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 agata-branczyk changed the title Measuring 1- and 2-body density matrices Computing generic observables Jan 31, 2022
@agata-branczyk agata-branczyk added the enhancement New feature or request label Mar 16, 2022
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