  The computation of electronic structure properties at the quantum level is a
crucial aspect of modern physics research. However, conventional methods can be
computationally demanding for larger, more complex systems. To address this
issue, we present a hybrid Classical-Quantum computational procedure that uses
the Variational Quantum Eigensolver (VQE) algorithm. By mapping the quantum
system to a set of qubits and utilising a quantum circuit to prepare the ground
state wavefunction, our algorithm offers a streamlined process requiring fewer
computational resources than classical methods. Our algorithm demonstrated
similar accuracy in rigorous comparisons with conventional electronic structure
methods, such as Density Functional Theory and Hartree-Fock Theory, on a range
of molecules while utilising significantly fewer resources. These results
indicate the potential of the algorithm to expedite the development of new
materials and technologies. This work paves the way for overcoming the
computational challenges of electronic structure calculations. It demonstrates
the transformative impact of quantum computing on advancing our understanding
of complex quantum systems.
