Simulating periodic systems on quantum computer

Understand

The variational quantum eigensolver (VQE) is one of the most appealing quantum algorithms to simulate electronic structure properties of molecules on near-term noisy intermediate-scale quantum devices.

• In this work, we generalize the VQE algorithm for simulating extended systems.
• However, the numerical study of an one-dimensional (1D) infinite hydrogen chain using existing VQE algorithms shows a remarkable deviation of the ground state energy with respect to the exact full configuration interaction (FCI) result.
• Here, we present two schemes to improve the accuracy of quantum simulations for extended systems.