openfermion.transforms.freeze_orbitals
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 optionally
renumbers the remaining orbitals to eliminate unused indices. The sign of
each term is modified according to the ladder operator 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.
|
prune
|
A flag that determines whether the orbitals will be renumbered to
eliminate unused indices.
|
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Last updated 2024-04-26 UTC.
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