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OpenFermion Hamiltonian
Molecular Hamiltonian construction skill using OpenFermion
instructions.md
--- name: openfermion-hamiltonian-f9be51b9df20 description: Molecular Hamiltonian construction skill using OpenFermion allowed-tools: - Bash - Read - Write - Edit - Glob - Grep metadata: specialization: quantum-computing domain: science category: quantum-chemistry phase: 6 graph: domains: [domain:quantum-computing] specializations: [specialization:quantum-computing] skillAreas: [skill-area:physics-simulation, skill-area:mathematical-reasoning, skill-area:statistical-analysis] workflows: [workflow:experiment-design] roles: [role:research-scientist, role:computational-scientist] --- # 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--- name: openfermion-hamiltonian-f9be51b9df20 description: Molecular Hamiltonian construction skill using OpenFermion allowed-tools: - Bash - Read - Write - Edit - Glob - Grep metadata: specialization: quantum-computing domain: science category: quantum-chemistry phase: 6 graph: domains: [domain:quantum-computing] specializations: [specialization:quantum-computing] skillAreas: [skill-area:physics-simulation, skill-area:mathematical-reasoning, skill-area:statistical-analysis] workflows: [workflow:experiment-design] roles: [role:research-scientist, role:computational-scientist] --- # 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
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Imported from the listed AgentSkill.sh category. Complete supplied package files and notices are retained. Required external tools and credentials are not installed. No bundled code was executed during import. Individual agent task behavior has not been tested.