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The new ElectronicDensity property is very naive in its current form. It was intended to be a starting point for further improvements, some ideas I will be listing below.
renormalization techniques based on expected quantities, for example particle number, spin, etc.
this may become particularly important once implementing algorithms iterating over the ElectronicDensity. The noise we incur when measuring these expectation values on a quantum device can hinder convergence of such algorithms significantly
symmetry-recovery (similar problem as in the above)
more initialization methods, for example:
based purely on number of spatial orbitals and particle number
ElectronicDensity.zero
ElectronicDensity.identity
The text was updated successfully, but these errors were encountered:
What is the expected enhancement?
The new
ElectronicDensity
property is very naive in its current form. It was intended to be a starting point for further improvements, some ideas I will be listing below.ElectronicDensity
. The noise we incur when measuring these expectation values on a quantum device can hinder convergence of such algorithms significantlyElectronicDensity.zero
ElectronicDensity.identity
The text was updated successfully, but these errors were encountered: