Quantum many-body linear algebra, Hamiltonian moments, and a coupled-cluster inspired framework
Abstract
We propose a general strategy to develop quantum many-body approximations of primitives in linear algebra algorithms. As a practical example, we introduce a coupled-cluster inspired framework to produce approximate Hamiltonian moments and demonstrate its application in various linear algebra algorithms for ground state estimation. Through numerical examples, we illustrate the difference between the ground-state energies arising from quantum many-body linear algebra and those from the analogous many-body perturbation theory. Our results support the general idea of designing quantum many-body approximations outside of perturbation theory, providing a route to new algorithms and approximations.
Article Details
Journal Info
The Journal of Chemical Physics
American Institute of Physics
Authors (4)
Yuhang Ai
Division of Chemistry and Chemical Engineering, California Institute of Technology , Pasadena, California 91125,
Huanchen Zhai
Division of Chemistry and Chemical Engineering, California Institute of Technology , Pasadena, California 91125,
Johannes Tölle
Department of Chemistry, University of Hamburg and The Hamburg Centre for Ultrafast Imaging (CUI) 2 , 22761 Hamburg,
Garnet Kin-Lic Chan
Division of Chemistry and Chemical Engineering