We can use OpenFermion to get the molecular Hamiltonian in the form of:
$$H = \sum_{pq} h_{pq} a_p^\dagger a_q + \frac12 \sum_{pqrs} h_{pqrs} a_p^\dagger a_q^\dagger a_r a_s$$
and we can also use the Jordan-Wigner transformation to get the spin Hamiltonian.
So in the molecular Hamiltonian such as the $\require{mhchem}\ce{H2}$ molecule we don't add any occupied or active indices limitation, there is a four-qubit Hamiltonian. What does every qubit represent?