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Quantum circuit for high order perturbation theory corrections.
1Department of Physics, College of Science, Northeastern University, Shenyang, 110819, China. lijunxu1996@gmail.com.
Scientific Reports
|June 17, 2024
Summary
This study introduces advanced quantum circuits for calculating higher-order perturbation theory (PT) corrections, offering a quantum alternative for physicists and chemists. The new methods efficiently estimate terms for 3rd and 4th order eigenenergy corrections.
Area of Science:
- Quantum Computing
- Theoretical Chemistry
- Quantum Physics
Background:
- Perturbation theory (PT) is a vital tool in physics and chemistry.
- Quantum computing offers novel approaches to classical computational challenges.
- Recent work proposed quantum circuits for low-order PT corrections.
Purpose of the Study:
- To revisit and enhance quantum circuits for PT calculations.
- To develop methods for higher-order PT corrections of eigenenergy (3rd and 4th order).
- To present feasible quantum circuits for estimating PT correction terms.
Main Methods:
- Development of quantum circuits for approximating perturbation terms.
- Implementation of quantum circuits for approximating inverse unperturbed energy differences.
- Generalization of the method for higher-order PT corrections.
Main Results:
- Feasible quantum circuits were designed to estimate terms for 3rd and 4th order PT corrections.
- The proposed circuits utilize two fundamental operations for approximation.
- The methodology is adaptable for calculating even higher-order PT corrections.
Conclusions:
- The study successfully extends quantum circuit applications to higher-order PT calculations.
- This work provides a viable quantum computational approach for complex PT problems.
- The developed methods hold potential for broader applications in quantum chemistry and physics.
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