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Fix some orbitals to be occupied and others unoccupied.
openfermion.transforms.freeze_orbitals(
fermion_operator, occupied, unoccupied=None, prune=True
)
Removes all operators acting on the specified orbitals, and renumbers the remaining orbitals to eliminate unused indices. The sign of each term is modified according to the ladder uperator anti-commutation relations in order to preserve the expectation value of the operator.
Args | |
---|---|
occupied
|
A list containing the indices of the orbitals that are to be assumed to be occupied. |
unoccupied
|
A list containing the indices of the orbitals that are to be assumed to be unoccupied. |