Quantum algorithm for imaginary-time Green's functions
Diksha DhawanDominika ZgidMario Motta
Diksha DhawanDominika ZgidMario Motta
Sep 2023
0被引用
0笔记
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摘要原文
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.
