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Operator Library

The C API provides various functions to simplify the construction of commonly used operators.


Commutator Generators

qf_op_type_commutator()Computes the commutator of two operators.
qf_op_type_anti_commutator()Computes the anti-commutator of two operators.
qf_op_type_double_commutator()Computes the double-commutator of three operators.

Common Operators

This section provides a quick reference for various operator constructor functions, grouped by category.

Electronic Integrals

qf_ferm_op_from_1body_tril_spin_sym()Constructs from spin-symmetric triangular 1-body integrals.
qf_ferm_op_from_1body_tril_spin()Constructs from separate spin-species triangular 1-body integrals.
qf_ferm_op_from_2body_tril_spin_sym()Constructs from spin-symmetric triangular 2-body integrals.
qf_ferm_op_from_2body_tril_spin()Constructs from separate spin-species triangular 2-body integrals.

Other Generators

Finally, the following additional operator generator utilities exist:

QfFCIDumpAn electronic structure Hamiltonian in FCIDump format.