Improving Energy and Molecular Properties by Convergence of the One-Particle Reduced Density Matrix in Variational Quantum Eigensolvers (VQE).

J Comput Chem · 2026 · PMC12766880 · PMID 41489110

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closest p

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an expected trendno p-value reported

This corroborates what was observed in the electron density and may be an expected trend, given that the electrostatic potential is obtained from this property (Equation 11 ).

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