A structure-preserving low-rank factorization of 2RDMs achieves linear rank scaling with system size and ~99% compression while retaining chemical accuracy for correlated states.
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A few hundred optimized non-orthogonal Slater determinants achieve lower variational energies than CCSD(T) for several molecules in double-zeta basis via an exact iterative orbital optimization and fourth-power scaling tensor contraction.
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Low-rank compression of two-electron reduced density matrices
A structure-preserving low-rank factorization of 2RDMs achieves linear rank scaling with system size and ~99% compression while retaining chemical accuracy for correlated states.
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Precise Quantum Chemistry calculations with few Slater Determinants
A few hundred optimized non-orthogonal Slater determinants achieve lower variational energies than CCSD(T) for several molecules in double-zeta basis via an exact iterative orbital optimization and fourth-power scaling tensor contraction.