Folded Spectrum VQE : A quantum computing method for the calculation of molecular excited states

Understand

The recent developments of quantum computing present potential novel pathways for quantum chemistry, as the increased computational power of quantum computers could be harnessed to naturally encode and solve electronic structure problems.

• Theoretically exact quantum algorithms for chemistry have been proposed (e.g.
• Quantum Phase Estimation) but the limited capabilities of current noisy intermediate scale quantum devices (NISQ) motivated the development of less demanding hybrid algorithms.
• In this context, the Variational Quantum Eigensolver (VQE) algorithm was successfully introduced as an effective method to compute the ground state energy of small molecules.