  Quantum computers are expected to perform the full con-figuration interaction
calculations with fewer computa-tional resources compared to classical ones,
thanks to the use of the quantum phase estimation (QPE) algorithms. However,
only limited number of the QPE-based quantum chemical calculations have been
reported even on the numerical simulations on a classical computer, focusing on
small molecules of up to five atoms. In this paper, we performed quantum
chemical calculations of electronic ground and excited states on industrially
important mole-cules using the iterative QPE algorithms. With the simula-tor
based on a single-GPGPU, we observed the speedup compared to the ones based on
multi-CPUs. We also con-firmed the feasibility of this method using a quantum
simulator and evaluated the {\pi}-{\pi}* excitation energies of benzene and its
mono-substituted derivatives. Our meth-od is easily applicable to other
molecules and can be a standard approach for performing the QPE-based quan-tum
chemical calculations of practical molecules.
