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Near-term quantum algorithm for computing molecular and materials properties based on recursive variational series methods
- Source :
- Phys. Rev. A 108, 022422 (2023)
- Publication Year :
- 2022
-
Abstract
- Determining the properties of molecules and materials is one of the premier applications of quantum computing. A major question in the field is: how might we use imperfect near-term quantum computers to solve problems of practical value? We propose a quantum algorithm to estimate the properties of molecules using near-term quantum devices. The method is a recursive variational series estimation method, where we expand an operator of interest in terms of Chebyshev polynomials and evaluate each term in the expansion using a variational quantum algorithm. We test our method by computing the one-particle Green's function in the energy domain and the autocorrelation function in the time domain.<br />Comment: 16+10 pages, 3 figures; comments welcome
- Subjects :
- Quantum Physics
Physics - Chemical Physics
Physics - Computational Physics
Subjects
Details
- Database :
- arXiv
- Journal :
- Phys. Rev. A 108, 022422 (2023)
- Publication Type :
- Report
- Accession number :
- edsarx.2206.09881
- Document Type :
- Working Paper
- Full Text :
- https://doi.org/10.1103/PhysRevA.108.022422