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Openfermion hamiltonian

Skill a5c-ai/babysitter/library/specializations/domains/science/quantum-computing/skills/openfermion-hamiltonian

Molecular Hamiltonian construction skill using OpenFermionFrom its SKILL.md

Install
npx -y skills add a5c-ai/babysitter --skill openfermion-hamiltonian

Assembled from the repository path, not quoted from the project. Check it against their README if it does not work.

SKILL.md

1.5 KB, 207 tokens by cl100k_base, as published. Nobody here has run it

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

What ships with it

Read from the repository

Just SKILL.md. No reference files, no scripts.

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