OpenFermion Hamiltonian
Purpose
Provides expert guidance on molecular Hamiltonian construction and fermion-to-qubit mappings using OpenFermion for quantum chemistry applications.
Capabilities
- Molecular Hamiltonian generation
- Jordan-Wigner transformation
- Bravyi-Kitaev transformation
- Parity transformation
- Second quantization handling
- Symmetry reduction
- Active space selection
- Hamiltonian term grouping
Usage Guidelines
- Molecular Setup: Define molecular geometry and basis set
- Hamiltonian Generation: Compute molecular integrals and construct Hamiltonian
- Transformation Selection: Choose appropriate fermion-to-qubit mapping
- Qubit Reduction: Apply symmetry and active space reductions
- Term Analysis: Analyze Hamiltonian structure for circuit design
Tools/Libraries
- OpenFermion
- OpenFermion-PySCF
- OpenFermion-Psi4
- Qiskit Nature
- PennyLane