COO co-optimizes orbitals with TrimCI to absorb many-body correlations into the basis, cutting determinant count by orders of magnitude for iron-sulfur clusters versus localized bases or DMRG.
a tzle, Z. , author No \'e , F. , year 2020 . title Deep-neural-network solution of the electronic schr \
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Neural networks represent densities in a variational extended Thomas-Fermi model, yielding binding energies within 0.5% of prior ETF results and reproducing nuclear pasta phases.
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Absorbing Many-Body Correlations into Core-Optimized Orbitals
COO co-optimizes orbitals with TrimCI to absorb many-body correlations into the basis, cutting determinant count by orders of magnitude for iron-sulfur clusters versus localized bases or DMRG.
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Neural-Network-Based Variational Method in Nuclear Density Functional Theory: Application to the Extended Thomas-Fermi Model
Neural networks represent densities in a variational extended Thomas-Fermi model, yielding binding energies within 0.5% of prior ETF results and reproducing nuclear pasta phases.