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Toward perturbation theory methods on a quantum computer.

Junxu Li1,2, Barbara A Jones3, Sabre Kais1

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Quantum computing offers a superior alternative to classical methods for perturbation theory. This new quantum circuit accurately estimates energy corrections for complex systems, outperforming classical approaches.

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Area of Science:

  • Quantum Computing
  • Computational Physics
  • Theoretical Chemistry

Background:

  • Perturbation theory is a fundamental method for approximating solutions to complex problems.
  • Classical computation faces limitations in solving large-scale quantum systems.
  • Recent advances in quantum computing present new avenues for computational methods.

Purpose of the Study:

  • To develop and demonstrate a general quantum circuit for estimating energy and eigenstate corrections.
  • To showcase the superiority of the quantum approach over classical methods for second-order energy corrections.
  • To apply the quantum circuit to the two-site extended Hubbard model.

Main Methods:

  • Implementation of a general quantum circuit for perturbation theory.
  • Numerical simulations using qiskit.
  • Execution and results analysis on IBM's quantum hardware.
  • Application to the two-site extended Hubbard model.

Main Results:

  • The developed quantum circuit significantly outperforms classical methods for second-order energy corrections.
  • Accurate estimation of energy and eigenstate corrections was achieved.
  • Demonstrated feasibility and performance on real quantum hardware.

Conclusions:

  • Quantum computing provides a powerful and efficient tool for perturbation theory.
  • The proposed quantum circuit offers a generalizable approach for studying complex Hamiltonian systems.
  • This method eliminates the need for training or optimization processes to obtain perturbative terms.