Computing Ground State Properties with Early Fault-Tolerant Quantum Computers

Understand

Significant effort in applied quantum computing has been devoted to the problem of ground state energy estimation for molecules and materials.

• Yet, for many applications of practical value, additional properties of the ground state must be estimated.
• These include Green's functions used to compute electron transport in materials and the one-particle reduced density matrices used to compute electric dipoles of molecules.
• In this paper, we propose a quantum-classical hybrid algorithm to efficiently estimate such ground state properties with high accuracy using low-depth quantum circuits.