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Quantum Chemistry
Exact Two-body Expansion of the Many-particle Wave Function
arXiv
Authors: David A. Mazziotti
Year
2020
Paper ID
20202
Status
Preprint
Abstract Read
~2 min
Abstract Words
153
Citations
N/A
Abstract
Progress toward the solution of the strongly correlated electron problem has been stymied by the exponential complexity of the wave function. Previous work established an exact two-body exponential product expansion for the ground-state wave function. By developing a reduced density matrix analogue of Dalgarno-Lewis perturbation theory, we prove here that (i) the two-body exponential product expansion is rapidly and globally convergent with each operator representing an order of a renormalized perturbation theory, (ii) the energy of the expansion converges quadratically near the solution, and (iii) the expansion is exact for both ground and excited states. The two-body expansion offers a reduced parametrization of the many-particle wave function as well as the two-particle reduced density matrix with potential applications on both conventional and quantum computers for the study of strongly correlated quantum systems. We demonstrate the result with the exact solution of the contracted Schrödinger equation for the molecular chains H4 and H5.
Why This Paper Matters
- This paper contributes to the Quantum Chemistry research area in the Quantum Articles archive.
- It adds a 2020 reference point for readers tracking recent quantum research.
- Progress toward the solution of the strongly correlated electron problem has been stymied by the exponential complexity of the wave function.
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