Current quantum computing hardware is restricted by the
availability
of only few, noisy qubits which limits the investigation of larger,
more complex molecules in quantum chemistry calculations on quantum
computers in the near term. In this work, we investigate the limits
of their classical and near-classical treatment while staying within
the framework of quantum circuits and the variational quantum eigensolver.
To this end, we consider naive and physically motivated, classically
efficient product ansatz for the parametrized wavefunction adapting
the separable-pair ansatz form. We combine it with post-treatment
to account for interactions between subsystems originating from this
ansatz. The classical treatment is given by another quantum circuit
that has support between the enforced subsystems and is folded into
the Hamiltonian. To avoid an exponential increase in the number of
Hamiltonian terms, the entangling operations are constructed from
purely Clifford or near-Clifford circuits. While Clifford circuits
can be simulated efficiently classically, they are not universal.
In order to account for missing expressibility, near-Clifford circuits
with only few, selected non-Clifford gates are employed. The exact
circuit structure to achieve this objective is molecule-dependent
and is constructed using simulated annealing and genetic algorithms.
We demonstrate our approach on a set of molecules of interest and
investigate the extent of our methodology’s reach.