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Two-electron wavefunctions are matrix product states with bond dimension Three

Published 21 Sep 2021 in quant-ph, math-ph, and math.MP | (2109.10091v1)

Abstract: We prove the statement in the title, for a suitable (wavefunction-dependent) choice of the underlying orbitals, and show that Three is optimal. Thus for two-electron systems, the QC-DMRG method with bond dimension Three combined with fermionic mode optimization exactly recovers the FCI energy.

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