Output data

The structure of the output data consists of the part input (the same data as the input), molecule_result, and metadata.

The information in the metadata is as follows.

• worker_version: The version of the module (worker) that performed the calculation on Qamuy.

The results are returned as molecule_result for molecular structure of target_molecule given as input. molecule_result contains the following.

1. Geometry Optimization Result

2. Hartree-Fock Results

3. Hamiltonian Generation

4. Quantum Device Results

5. Post HF Results

Each of these elements is described below.

• Geometry Optimization Result
• Hartree-Fock results
• Hamiltonian generation
• Quantum device result
• Post HF results