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From Wavefunction Regularity to Eigenvector Conditioning: Accuracy--Cost Trade-offs of Quantum Algorithms for Non-Hermitian Transcorrelated Hamiltonians

Hong, Cheng-Lin et al.
arXiv (All) · Papers
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The electron--electron Coulomb singularity forces cusp structure in electronic wavefunctions. This cusp structure limits wavefunction regularity and slows the convergence of expansions in smooth bases, requiring large basis sets to reach a target accuracy. The transcorrelated (TC) method incorporate
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