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Periodic system simulations #64

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KarimElgammal opened this issue Jul 9, 2024 · 1 comment
Open

Periodic system simulations #64

KarimElgammal opened this issue Jul 9, 2024 · 1 comment
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type: feature request New feature or request

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@KarimElgammal
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KarimElgammal commented Jul 9, 2024

simulating periodic systems or slab with qiskit and pyscf

Hi!
I am wondering how can I simulate periodic systems using qiskit-nature-pyscf such as a slab of Si for example

I came across the issue in qiskit-community/qiskit-nature#988 where there was some refers that this newer repo can have the implementation for periodic embedding technique

@mrossinek
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The pipeline for simulating periodic systems has not been tested in the context of this plugin. That does not mean it does not work, I simply do not know.
If you do test it and find that it works, please feel free to contribute a PR which adds unttests (and any additional required changes) such that the support can be validated continuously.

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