Operator Library
The C API provides various functions to simplify the construction of commonly used operators.
Commutator Generators
Column 1 | Column 2 |
|---|---|
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
Column 1 | Column 2 |
|---|---|
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:
Column 1 | Column 2 |
|---|---|
QfFCIDump | An electronic structure Hamiltonian in FCIDump format. |
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