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Direct comparison of many-body methods for realistic electronic Hamiltonians
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A large collaboration carefully benchmarks 20 first principles many-body electronic structure methods on a test set of 7 transition metal atoms, and their ions and monoxides. Good agreement is attained between the 3 systematically converged methods, resulting in experiment-free reference values. These reference values are used to assess the accuracy of modern emerging and scalable approaches to the many-electron problem. The most accurate methods obtain energies indistinguishable from experimental results, with the agreement mainly limited by the experimental uncertainties. Comparison between methods enables a unique perspective on calculations of many-body systems of electrons.
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Machine learning for sample-based quantum diagonalization: generative configuration recovery and the classical-simulability frontier
A critical review plus small exact-FCI experiments concludes that sample-based quantum diagonalization has not beaten classical selected CI and maps where, if anywhere, a quantum or generative advantage could survive.
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