Self-Consistent Determination of Single-Impurity Anderson Model Using Hybrid Quantum-Classical Approach on a Spin Quantum Simulator
arXiv:2410.07808 · doi:10.1103/PhysRevLett.133.140602
Abstract
The accurate determination of the electronic structure of strongly correlated materials using first principle methods is of paramount importance in condensed matter physics, computational chemistry, and material science. However, due to the exponential scaling of computational resources, incorporating such materials into classical computation frameworks becomes prohibitively expensive. In 2016, Bauer et al. proposed a hybrid quantum-classical approach to correlated materials Phys. Rev. X 6, 031045 (2016)}] that can efficiently tackle the electronic structure of complex correlated materials. Here, we experimentally demonstrate that approach to tackle the computational challenges associated with strongly correlated materials. By seamlessly integrating quantum computation into classical computers, we address the most computationally demanding aspect of the calculation, namely the computation of the Green's function, using a spin quantum processor. Furthermore, we realize a self-consistent determination of the single impurity Anderson model through a feedback loop between quantum and classical computations. A quantum phase transition in the Hubbard model from the metallic phase to the Mott insulator is observed as the strength of electron correlation increases. As the number of qubits with high control fidelity continues to grow, our experimental findings pave the way for solving even more complex models, such as strongly correlated crystalline materials or intricate molecules.
6 pages + appendices
References in corpus (27)
- Electronic Structure Calculations with Dynamical Mean-Field Theory: A Spectral Density Functional Approach
- Simulated Quantum Computation of Molecular Energies
- Hartree-Fock on a superconducting qubit quantum computer
- Efficient variational quantum simulator incorporating active error minimisation
- Quantum chemistry calculations on a trapped-ion quantum simulator
- Solving strongly correlated electron models on a quantum computer
- Hybrid Quantum-Classical Approach to Quantum Optimal Control
- Computational Complexity of interacting electrons and fundamental limitations of Density Functional Theory
- Hybrid quantum-classical approach to correlated materials
- Variational quantum simulation of general processes
- Efficient real frequency solver for dynamical mean field theory
- Free energy from stationary implementation of the DFT+DMFT functional
- Momentum-resolved spectral functions of SrVO calculated by LDA+DMFT
- Noisy intermediate-scale quantum computers
- Two-site dynamical mean-field theory
- Forces for Structural Optimizations in Correlated Materials within DFT+Embedded DMFT Functional Approach
- Complexity of quantum impurity problems
- Preparation of pseudo-pure states by line-selective pulses in Nuclear Magnetic Resonance
- Few-qubit quantum-classical simulation of strongly correlated lattice fermions
- First-principles Calculation of Atomic Forces and Structural Distortions in Strongly Correlated Materials
- Non-unitary operations for ground-state calculations in near term quantum computers
- Efficient lattice dynamics calculations for correlated materials with DFT+DMFT
- Valence-band satellite in the ferromagnetic nickel: LDA+DMFT study with exact diagonalization
- The phonon softening due to melting of the ferromagnetic order in elemental iron
- Simulation of mirror inversion of quantum states in an XY spin chain using NMR
- Quantum simulations of a particle in one-dimensional potentials using NMR
- Calculating the Green's function of two-site Fermionic Hubbard model in a photonic system