quantumlib / OpenFermion

The electronic structure package for quantum computers.
Apache License 2.0
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UHF energy with openfermion #812

Open ghost opened 1 year ago

ghost commented 1 year ago

Hello, I am new with openfermion. I want to know if there is a way to calculate the unrestricted HF energy of a molecule for a fixed value of the spin. I would appreciate of any guidance to implement this.

fdmalone commented 1 year ago

Hi, sorry for the delay. Could you provide some more information on what you want to do, i.e., do you want to build a circuit to perform a UHF calculation, or something else?