openfermion-hamiltonian

# 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 1. **Molecular Setup**: Define molecular geometry and basis set 2. **Hamiltonian Generation**: Compute molecular integrals and construct Hamiltonian 3. **Transformation Selection**: Choose appropriate fermion-to-qubit mapping 4. **Qubit Reduction**: Apply symmetry and active space reductions 5. **Term Analysis**: Analyze Hamiltonian structure for circuit design ## Tools/Libraries - OpenFermion - OpenFermion-PySCF - OpenFermion-Psi4 - Qiskit Nature - PennyLane