Efficient quantum circuits for quantum computational chemistry

Understand

Molecular quantum simulations with the variational quantum eigensolver (VQE) rely on ansatz states that approximate the molecular ground states.

• These ansatz states are generally defined by parametrized fermionic excitation operators and an initial reference state.
• Efficient ways to perform fermionic excitations are vital for the realization of the VQE on noisy intermediate-scale quantum computers.
• Here, we address this issue by first demonstrating circuits that perform qubit excitations, excitations that do not account for fermionic anticommutation relations.