Self-Consistent Determination of Single-Impurity Anderson Model Using Hybrid Quantum-Classical Approach on a Spin...

Area of Science:

• Condensed matter physics
• Computational chemistry
• Materials science

Background:

• Accurate electronic structure determination is crucial but computationally expensive for strongly correlated materials.
• Classical computation struggles with the exponential scaling of resources for these materials.
• A hybrid quantum-classical approach was proposed in 2016 to address these challenges.

Purpose of the Study:

• To experimentally demonstrate a hybrid quantum-classical approach for tackling strongly correlated materials.
• To address the computational challenges in determining the electronic structure of complex materials.
• To showcase the potential of quantum computation in materials science.

Main Methods:

• Integration of quantum computation with classical computers.
• Utilizing a spin quantum processor for Green's function computation.
• Implementing a feedback loop for self-consistent model determination.

Main Results:

• Successful experimental demonstration of the hybrid quantum-classical approach.
• Computation of the Green's function using a quantum processor.
• Observation of a quantum phase transition in the Hubbard model (metallic to Mott insulator).

Conclusions:

• The experimental findings validate the hybrid approach for strongly correlated materials.
• Growing qubit fidelity enables solving more complex material models.
• This work paves the way for simulating intricate crystalline materials and molecules.