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Quantum algorithm for imaginary-time Green's functions
- Publication Year :
- 2023
-
Abstract
- Green's function methods lead to ab initio, systematically improvable simulations of molecules and materials while providing access to multiple experimentally observable properties such as the density of states and the spectral function. The calculation of the exact one-particle Green's function remains a significant challenge for classical computers and was attempted only on very small systems. Here, we present a hybrid quantum-classical algorithm to calculate the imaginary-time one-particle Green's function. The proposed algorithm combines variational quantum eigensolver and quantum subspace expansion to calculate Green's function in Lehmann's representation. We demonstrate the validity of this algorithm by simulating H$_2$ and H$_4$ on quantum simulators and on IBM's quantum devices.
- Subjects :
- Quantum Physics
Condensed Matter - Strongly Correlated Electrons
Subjects
Details
- Database :
- arXiv
- Publication Type :
- Report
- Accession number :
- edsarx.2309.09914
- Document Type :
- Working Paper