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:

QfFCIDump

An electronic structure Hamiltonian in FCIDump format.