Operator Library¶
The C API provides various functions to simplify the construction of commonly used operators.
Commutator Generators¶
Computes the commutator of two operators. |
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Computes the anti-commutator of two operators. |
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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¶
Constructs from spin-symmetric triangular 1-body integrals. |
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Constructs from separate spin-species triangular 1-body integrals. |
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Constructs from spin-symmetric triangular 2-body integrals. |
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Constructs from separate spin-species triangular 2-body integrals. |
Other Generators¶
Finally, the following additional operator generator utilities exist:
An electronic structure Hamiltonian in FCIDump format. |