High ground state overlap via quantum embedding methods

Understand

Quantum computers can accurately compute ground state energies using phase estimation, but this requires a guiding state that has significant overlap with the true ground state.

• For large molecules and extended materials, it becomes difficult to find guiding states with good ground state overlap for growing molecule sizes.
• Additionally, the required number of qubits and quantum gates may become prohibitively large.
• One approach for dealing with these challenges is to use a quantum embedding method, which allows a reduction to one or multiple smaller quantum cores embedded in a larger quantum region.